2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline

C16H20N2O — CID 66417891

IUPAC2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline
SMILESCOc1ccc(C(C)NCc2ccccc2N)cc1
InChIInChI=1S/C16H20N2O/c1-12(13-7-9-15(19-2)10-8-13)18-11-14-5-3-4-6-16(14)17/h3-10,12,18H,11,17H2,1-2H3
InChIKeyOERQJXHLKQLVDM-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.13
Rot. Bonds5

About 2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline

2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline (PubChem CID 66417891) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline
PubChem CID66417891
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline
SMILESCOc1ccc(C(C)NCc2ccccc2N)cc1
InChIInChI=1S/C16H20N2O/c1-12(13-7-9-15(19-2)10-8-13)18-11-14-5-3-4-6-16(14)17/h3-10,12,18H,11,17H2,1-2H3
InChIKeyOERQJXHLKQLVDM-UHFFFAOYSA-N
XLogP3.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline 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

3-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]benzene-1,2-diol
CID 81370718
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371074
2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367015
1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103792828
4-methoxy-2-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81368054
(1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81367023
N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66241780
(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 96930071
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66242816
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762172
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
2-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol
CID 81371547

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline?
The IUPAC name of 2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline (CID 66417891) is 2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline is COc1ccc(C(C)NCc2ccccc2N)cc1.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline?
The InChIKey is OERQJXHLKQLVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(13-7-9-15(19-2)10-8-13)18-11-14-5-3-4-6-16(14)17/h3-10,12,18H,11,17H2,1-2H3.
What are the key properties of 2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline?
2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline has a molecular weight of 256.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline is sourced from PubChem (CID 66417891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).