N-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline

C21H27FN2O2 — CID 142915056

IUPACN-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline
SMILESCCN(Cc1ccc(OCCN2CCC2)c(F)c1)c1cccc(OC)c1
InChIInChI=1S/C21H27FN2O2/c1-3-24(18-6-4-7-19(15-18)25-2)16-17-8-9-21(20(22)14-17)26-13-12-23-10-5-11-23/h4,6-9,14-15H,3,5,10-13,16H2,1-2H3
InChIKeyAQBUOWKCWUSTJN-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.95
Rot. Bonds9

About N-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline

N-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline (PubChem CID 142915056) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline.

Molecular Properties

Compound NameN-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline
PubChem CID142915056
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC NameN-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline
SMILESCCN(Cc1ccc(OCCN2CCC2)c(F)c1)c1cccc(OC)c1
InChIInChI=1S/C21H27FN2O2/c1-3-24(18-6-4-7-19(15-18)25-2)16-17-8-9-21(20(22)14-17)26-13-12-23-10-5-11-23/h4,6-9,14-15H,3,5,10-13,16H2,1-2H3
InChIKeyAQBUOWKCWUSTJN-UHFFFAOYSA-N
XLogP3.95
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915269
N-ethyl-N-[[3-fluoro-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-methoxyaniline
CID 142915382
1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone
CID 68857180
acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915002
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
N-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline
CID 142915200
1-[2-(2-fluoro-4-propylphenoxy)ethyl]piperidine
CID 91082463
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
(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
6-[2-[ethyl-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]amino]-4-hydroxyphenyl]-1,2,5,6,7,8-hexahydronaphthalen-2-ol
CID 163708164
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
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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline?
The IUPAC name of N-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline (CID 142915056) is N-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline.
What is the SMILES notation for N-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline?
The canonical SMILES for N-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline is CCN(Cc1ccc(OCCN2CCC2)c(F)c1)c1cccc(OC)c1.
What is the InChIKey of N-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline?
The InChIKey is AQBUOWKCWUSTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2/c1-3-24(18-6-4-7-19(15-18)25-2)16-17-8-9-21(20(22)14-17)26-13-12-23-10-5-11-23/h4,6-9,14-15H,3,5,10-13,16H2,1-2H3.
What are the key properties of N-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline?
N-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline has a molecular weight of 358.46 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline is sourced from PubChem (CID 142915056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).