N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-N-propylaniline

C36H47FN2O3 — CID 142915005

IUPACN-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-N-propylaniline
SMILESCCCN(Cc1ccc(OCCN2CCCCC2)c(F)c1)c1cc(OC)ccc1CC1CCc2cc(OC)ccc2C1
InChIInChI=1S/C36H47FN2O3/c1-4-16-39(26-28-9-15-36(34(37)23-28)42-20-19-38-17-6-5-7-18-38)35-25-33(41-3)14-12-31(35)22-27-8-10-30-24-32(40-2)13-11-29(30)21-27/h9,11-15,23-25,27H,4-8,10,16-22,26H2,1-3H3
InChIKeyAPRWCRATJVWAFI-UHFFFAOYSA-N
MW574.78 g/mol
LogP7.47
Rot. Bonds13

About N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-N-propylaniline

N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-N-propylaniline (PubChem CID 142915005) has the molecular formula C36H47FN2O3 and a molecular weight of 574.78 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-N-propylaniline.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-N-propylaniline
PubChem CID142915005
Molecular FormulaC36H47FN2O3
Molecular Weight574.78 g/mol
Exact Mass574.36
IUPAC NameN-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-N-propylaniline
SMILESCCCN(Cc1ccc(OCCN2CCCCC2)c(F)c1)c1cc(OC)ccc1CC1CCc2cc(OC)ccc2C1
InChIInChI=1S/C36H47FN2O3/c1-4-16-39(26-28-9-15-36(34(37)23-28)42-20-19-38-17-6-5-7-18-38)35-25-33(41-3)14-12-31(35)22-27-8-10-30-24-32(40-2)13-11-29(30)21-27/h9,11-15,23-25,27H,4-8,10,16-22,26H2,1-3H3
InChIKeyAPRWCRATJVWAFI-UHFFFAOYSA-N
XLogP7.47
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.78
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-N-propylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propan-2-ylaniline
CID 66627004
N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline
CID 66626062
(6R)-6-[2-[ethyl-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58023087
N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915269
N-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915056
2-[6-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxyaniline
CID 66626407
1-[2-(2-fluoro-4-propylphenoxy)ethyl]piperidine
CID 91082463
(6R)-6-[2-[ethyl-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58023063
6-[2-[1-[4-[2-(azocan-1-yl)ethoxy]-3-fluorophenyl]propan-2-ylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66626313
N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[[4-(2-piperazin-1-ylethoxy)phenyl]methyl]aniline
CID 66627277
6-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4-methoxyphenyl]-3,4,5,6,7,8-hexahydronaphthalen-2-ol
CID 146725855
N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 107687146

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-N-propylaniline?
The IUPAC name of N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-N-propylaniline (CID 142915005) is N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-N-propylaniline.
What is the SMILES notation for N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-N-propylaniline?
The canonical SMILES for N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-N-propylaniline is CCCN(Cc1ccc(OCCN2CCCCC2)c(F)c1)c1cc(OC)ccc1CC1CCc2cc(OC)ccc2C1.
What is the InChIKey of N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-N-propylaniline?
The InChIKey is APRWCRATJVWAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H47FN2O3/c1-4-16-39(26-28-9-15-36(34(37)23-28)42-20-19-38-17-6-5-7-18-38)35-25-33(41-3)14-12-31(35)22-27-8-10-30-24-32(40-2)13-11-29(30)21-27/h9,11-15,23-25,27H,4-8,10,16-22,26H2,1-3H3.
What are the key properties of N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-N-propylaniline?
N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-N-propylaniline has a molecular weight of 574.78 g/mol, XLogP of 7.47, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-N-propylaniline is sourced from PubChem (CID 142915005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).