3-[(3-methylphenyl)methylamino]butan-1-ol

C12H19NO — CID 78997783

IUPAC3-[(3-methylphenyl)methylamino]butan-1-ol
SMILESCc1cccc(CNC(C)CCO)c1
InChIInChI=1S/C12H19NO/c1-10-4-3-5-12(8-10)9-13-11(2)6-7-14/h3-5,8,11,13-14H,6-7,9H2,1-2H3
InChIKeyLYZHPFKPVADVTA-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.86
Rot. Bonds5

About 3-[(3-methylphenyl)methylamino]butan-1-ol

3-[(3-methylphenyl)methylamino]butan-1-ol (PubChem CID 78997783) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(3-methylphenyl)methylamino]butan-1-ol
PubChem CID78997783
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-[(3-methylphenyl)methylamino]butan-1-ol
SMILESCc1cccc(CNC(C)CCO)c1
InChIInChI=1S/C12H19NO/c1-10-4-3-5-12(8-10)9-13-11(2)6-7-14/h3-5,8,11,13-14H,6-7,9H2,1-2H3
InChIKeyLYZHPFKPVADVTA-UHFFFAOYSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(3-methylphenyl)methylamino]butan-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

4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 75356495
(4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 97051534
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
(3R)-3-[(3-bromophenyl)methylamino]butan-1-ol
CID 103854762
3-[(3-methoxyphenyl)methylamino]butan-1-ol
CID 78998469
4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol
CID 103949947
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
N-[(3-methylphenyl)methyl]-4-methylsulfinylbutan-2-amine
CID 115688195
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide
CID 53314010
N-[(3,4-difluorophenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 63455010
1-ethylsulfanyl-N-[(3-methylphenyl)methyl]propan-2-amine
CID 115660780

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methylamino]butan-1-ol?
The IUPAC name of 3-[(3-methylphenyl)methylamino]butan-1-ol (CID 78997783) is 3-[(3-methylphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(3-methylphenyl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(3-methylphenyl)methylamino]butan-1-ol is Cc1cccc(CNC(C)CCO)c1.
What is the InChIKey of 3-[(3-methylphenyl)methylamino]butan-1-ol?
The InChIKey is LYZHPFKPVADVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-4-3-5-12(8-10)9-13-11(2)6-7-14/h3-5,8,11,13-14H,6-7,9H2,1-2H3.
What are the key properties of 3-[(3-methylphenyl)methylamino]butan-1-ol?
3-[(3-methylphenyl)methylamino]butan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 78997783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).