(1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol

C17H21NO — CID 134955174

IUPAC(1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1[C@H](O)CCNCc1ccccc1
InChIInChI=1S/C17H21NO/c1-14-7-5-6-10-16(14)17(19)11-12-18-13-15-8-3-2-4-9-15/h2-10,17-19H,11-13H2,1H3/t17-/m1/s1
InChIKeyDXPVRRLCWZBSLS-QGZVFWFLSA-N
MW255.36 g/mol
LogP3.21
Rot. Bonds6

About (1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol

(1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol (PubChem CID 134955174) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol
PubChem CID134955174
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1[C@H](O)CCNCc1ccccc1
InChIInChI=1S/C17H21NO/c1-14-7-5-6-10-16(14)17(19)11-12-18-13-15-8-3-2-4-9-15/h2-10,17-19H,11-13H2,1H3/t17-/m1/s1
InChIKeyDXPVRRLCWZBSLS-QGZVFWFLSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol 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

(1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol
CID 94281330
3-(benzylamino)-1-(4-fluoro-2-iodophenyl)propan-1-ol
CID 11740772
1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene
CID 72703548
1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol
CID 111118599
(2S,3S)-5-(benzylamino)pentane-1,2,3-triol
CID 22804690
4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol
CID 62608573
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
N-benzyl-4-[[4-(benzylamino)-2-methylbutyl]-dimethylsilyl]-3-methylbutan-1-amine
CID 10597713
N-benzyl-2-(2-methylphenyl)sulfanylethanamine
CID 55091993
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
N-benzyl-1-phenylmethanamine;2-[bis(2-methylphenyl)methyl]furan
CID 70565879
1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol
CID 114979028

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of (1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol (CID 134955174) is (1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for (1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for (1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol is Cc1ccccc1[C@H](O)CCNCc1ccccc1.
What is the InChIKey of (1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol?
The InChIKey is DXPVRRLCWZBSLS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO/c1-14-7-5-6-10-16(14)17(19)11-12-18-13-15-8-3-2-4-9-15/h2-10,17-19H,11-13H2,1H3/t17-/m1/s1.
What are the key properties of (1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol?
(1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 134955174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).