N-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline

C21H29FN2O2 — CID 142915200

IUPACN-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline
SMILESCCCN(C)CCOc1ccc(CN(C)c2cccc(OC)c2)cc1F
InChIInChI=1S/C21H29FN2O2/c1-5-11-23(2)12-13-26-21-10-9-17(14-20(21)22)16-24(3)18-7-6-8-19(15-18)25-4/h6-10,14-15H,5,11-13,16H2,1-4H3
InChIKeyPXCNJVQAONTUEO-UHFFFAOYSA-N
MW360.47 g/mol
LogP4.19
Rot. Bonds10

About N-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline

N-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline (PubChem CID 142915200) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is N-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline
PubChem CID142915200
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC NameN-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline
SMILESCCCN(C)CCOc1ccc(CN(C)c2cccc(OC)c2)cc1F
InChIInChI=1S/C21H29FN2O2/c1-5-11-23(2)12-13-26-21-10-9-17(14-20(21)22)16-24(3)18-7-6-8-19(15-18)25-4/h6-10,14-15H,5,11-13,16H2,1-4H3
InChIKeyPXCNJVQAONTUEO-UHFFFAOYSA-N
XLogP4.19
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline
CID 63189213
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-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915056
N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915240
N-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline
CID 142914977
N-[(2-hydrazinyl-4-pyridinyl)methyl]-3-methoxy-N-methylaniline
CID 62471694
5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62004359
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline
CID 43275566
3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline
CID 112646114
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867
N-ethyl-3-methoxy-N-methylaniline
CID 67357774

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline?
The IUPAC name of N-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline (CID 142915200) is N-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline.
What is the SMILES notation for N-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline?
The canonical SMILES for N-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline is CCCN(C)CCOc1ccc(CN(C)c2cccc(OC)c2)cc1F.
What is the InChIKey of N-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline?
The InChIKey is PXCNJVQAONTUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c1-5-11-23(2)12-13-26-21-10-9-17(14-20(21)22)16-24(3)18-7-6-8-19(15-18)25-4/h6-10,14-15H,5,11-13,16H2,1-4H3.
What are the key properties of N-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline?
N-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline has a molecular weight of 360.47 g/mol, XLogP of 4.19, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline is sourced from PubChem (CID 142915200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).