4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline

C16H20N2O — CID 22693568

IUPAC4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(CCNc2ccc(CN)cc2)cc1
InChIInChI=1S/C16H20N2O/c1-19-16-8-4-13(5-9-16)10-11-18-15-6-2-14(12-17)3-7-15/h2-9,18H,10-12,17H2,1H3
InChIKeyIPWSTVBWUDUCSE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.81
Rot. Bonds6

About 4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline

4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline (PubChem CID 22693568) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
PubChem CID22693568
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(CCNc2ccc(CN)cc2)cc1
InChIInChI=1S/C16H20N2O/c1-19-16-8-4-13(5-9-16)10-11-18-15-6-2-14(12-17)3-7-15/h2-9,18H,10-12,17H2,1H3
InChIKeyIPWSTVBWUDUCSE-UHFFFAOYSA-N
XLogP2.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_B(1)', 'substructure': 'N/A'}

Analyze 4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]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

N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63535943
4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 62231026
N-[2-[4-(aminomethyl)phenyl]ethyl]aniline
CID 105484105
N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
CID 54763230
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
N-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yloxyaniline
CID 54802782
N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine
CID 66350177
4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline
CID 69045313
3-(chloromethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446140
2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446531
4-[2-(4-methoxyphenyl)ethylamino]-2-methylbenzamide
CID 71978056

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline (CID 22693568) is 4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline is COc1ccc(CCNc2ccc(CN)cc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline?
The InChIKey is IPWSTVBWUDUCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-16-8-4-13(5-9-16)10-11-18-15-6-2-14(12-17)3-7-15/h2-9,18H,10-12,17H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline?
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline has a molecular weight of 256.35 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 22693568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).