3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline

C17H22N2O — CID 46194968

IUPAC3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline
SMILESCOc1ccccc1CNc1cccc(CCCN)c1
InChIInChI=1S/C17H22N2O/c1-20-17-10-3-2-8-15(17)13-19-16-9-4-6-14(12-16)7-5-11-18/h2-4,6,8-10,12,19H,5,7,11,13,18H2,1H3
InChIKeyLXEBKXPCHOBXJL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.20
Rot. Bonds7

About 3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline

3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline (PubChem CID 46194968) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline
PubChem CID46194968
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline
SMILESCOc1ccccc1CNc1cccc(CCCN)c1
InChIInChI=1S/C17H22N2O/c1-20-17-10-3-2-8-15(17)13-19-16-9-4-6-14(12-16)7-5-11-18/h2-4,6,8-10,12,19H,5,7,11,13,18H2,1H3
InChIKeyLXEBKXPCHOBXJL-UHFFFAOYSA-N
XLogP3.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminopropyl)-N-[2-[3-[3-[[3-(3-aminopropyl)anilino]methyl]-4-methoxyphenyl]phenyl]ethyl]aniline
CID 90866134
N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801294
3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
N-[(2-methoxyphenyl)methyl]-4-pentylaniline
CID 28510048
N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid
CID 90483636
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
N-[(2-methoxyphenyl)methyl]-4-propylaniline
CID 29045646
2-[2-(3-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]aniline
CID 24808343
1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol
CID 174622940
3-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 116925940
1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 75385102
N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
CID 542258

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline?
The IUPAC name of 3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline (CID 46194968) is 3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline?
The canonical SMILES for 3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline is COc1ccccc1CNc1cccc(CCCN)c1.
What is the InChIKey of 3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline?
The InChIKey is LXEBKXPCHOBXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-20-17-10-3-2-8-15(17)13-19-16-9-4-6-14(12-16)7-5-11-18/h2-4,6,8-10,12,19H,5,7,11,13,18H2,1H3.
What are the key properties of 3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline?
3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline has a molecular weight of 270.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 46194968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).