2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol

C18H23NO — CID 62315349

IUPAC2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol
SMILESCCC(NCCc1cccc(C)c1)c1ccccc1O
InChIInChI=1S/C18H23NO/c1-3-17(16-9-4-5-10-18(16)20)19-12-11-15-8-6-7-14(2)13-15/h4-10,13,17,19-20H,3,11-12H2,1-2H3
InChIKeySYOYGGVXIFQVTG-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.98
Rot. Bonds6

About 2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol

2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol (PubChem CID 62315349) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol
PubChem CID62315349
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol
SMILESCCC(NCCc1cccc(C)c1)c1ccccc1O
InChIInChI=1S/C18H23NO/c1-3-17(16-9-4-5-10-18(16)20)19-12-11-15-8-6-7-14(2)13-15/h4-10,13,17,19-20H,3,11-12H2,1-2H3
InChIKeySYOYGGVXIFQVTG-UHFFFAOYSA-N
XLogP3.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol 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-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine
CID 63478154
N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine
CID 63477461
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
4-[1-[2-(3-methylphenyl)ethylamino]ethyl]benzene-1,3-diol
CID 62314440
1-(2-ethoxyphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315350
1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315352
3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312988
5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
CID 63068009
2-[1-(2-fluoro-5-methylanilino)propyl]phenol
CID 43122748
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
2-[1-(2-methylsulfonylethylamino)propyl]phenol
CID 54931599
N'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide
CID 77028641

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol?
The IUPAC name of 2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol (CID 62315349) is 2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol.
What is the SMILES notation for 2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol?
The canonical SMILES for 2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol is CCC(NCCc1cccc(C)c1)c1ccccc1O.
What is the InChIKey of 2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol?
The InChIKey is SYOYGGVXIFQVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-17(16-9-4-5-10-18(16)20)19-12-11-15-8-6-7-14(2)13-15/h4-10,13,17,19-20H,3,11-12H2,1-2H3.
What are the key properties of 2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol?
2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-methylphenyl)ethylamino]propyl]phenol is sourced from PubChem (CID 62315349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).