4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline

C17H22N2 — CID 115212458

IUPAC4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
SMILESCC(C)c1ccc(CNCc2ccc(N)cc2)cc1
InChIInChI=1S/C17H22N2/c1-13(2)16-7-3-14(4-8-16)11-19-12-15-5-9-17(18)10-6-15/h3-10,13,19H,11-12,18H2,1-2H3
InChIKeyKGUXEHAISJRWLI-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.68
Rot. Bonds5

About 4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline

4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline (PubChem CID 115212458) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline.

Molecular Properties

Compound Name4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
PubChem CID115212458
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
SMILESCC(C)c1ccc(CNCc2ccc(N)cc2)cc1
InChIInChI=1S/C17H22N2/c1-13(2)16-7-3-14(4-8-16)11-19-12-15-5-9-17(18)10-6-15/h3-10,13,19H,11-12,18H2,1-2H3
InChIKeyKGUXEHAISJRWLI-UHFFFAOYSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[[(4-propan-2-ylphenyl)methylamino]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

1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
CID 115226785
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
CID 60658050
2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80695833
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 60976741
N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 29282807
2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine
CID 115202512
N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66397712

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline?
The IUPAC name of 4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline (CID 115212458) is 4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline.
What is the SMILES notation for 4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline?
The canonical SMILES for 4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline is CC(C)c1ccc(CNCc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline?
The InChIKey is KGUXEHAISJRWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13(2)16-7-3-14(4-8-16)11-19-12-15-5-9-17(18)10-6-15/h3-10,13,19H,11-12,18H2,1-2H3.
What are the key properties of 4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline?
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline has a molecular weight of 254.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline is sourced from PubChem (CID 115212458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).