3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline

C17H22N2O — CID 43459109

IUPAC3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline
SMILESCCN(Cc1cccc(N)c1)Cc1cccc(OC)c1
InChIInChI=1S/C17H22N2O/c1-3-19(12-14-6-4-8-16(18)10-14)13-15-7-5-9-17(11-15)20-2/h4-11H,3,12-13,18H2,1-2H3
InChIKeyUWIVSVCXWSRADE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.30
Rot. Bonds6

About 3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline

3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline (PubChem CID 43459109) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline
PubChem CID43459109
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline
SMILESCCN(Cc1cccc(N)c1)Cc1cccc(OC)c1
InChIInChI=1S/C17H22N2O/c1-3-19(12-14-6-4-8-16(18)10-14)13-15-7-5-9-17(11-15)20-2/h4-11H,3,12-13,18H2,1-2H3
InChIKeyUWIVSVCXWSRADE-UHFFFAOYSA-N
XLogP3.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline
CID 43459137
3-[[(2,6-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 115776980
3-[[ethyl(2-methylpropyl)amino]methyl]aniline
CID 43273295
N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 783617
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459084
N-(2-bromoethyl)-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 80679564
3-[[(4-chloro-3-fluorophenyl)methyl-ethylamino]methyl]aniline
CID 107881986
3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline
CID 81146090
3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180359
3-methoxyaniline;sulfane
CID 174447811

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline?
The IUPAC name of 3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline (CID 43459109) is 3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline.
What is the SMILES notation for 3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline?
The canonical SMILES for 3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline is CCN(Cc1cccc(N)c1)Cc1cccc(OC)c1.
What is the InChIKey of 3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline?
The InChIKey is UWIVSVCXWSRADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-19(12-14-6-4-8-16(18)10-14)13-15-7-5-9-17(11-15)20-2/h4-11H,3,12-13,18H2,1-2H3.
What are the key properties of 3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline?
3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline has a molecular weight of 270.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline is sourced from PubChem (CID 43459109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).