3-methyl-2-(propylaminomethyl)phenol

C11H17NO — CID 142457021

IUPAC3-methyl-2-(propylaminomethyl)phenol
SMILESCCCNCc1c(C)cccc1O
InChIInChI=1S/C11H17NO/c1-3-7-12-8-10-9(2)5-4-6-11(10)13/h4-6,12-13H,3,7-8H2,1-2H3
InChIKeyCVICJABZINITGU-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.20
Rot. Bonds4

About 3-methyl-2-(propylaminomethyl)phenol

3-methyl-2-(propylaminomethyl)phenol (PubChem CID 142457021) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-methyl-2-(propylaminomethyl)phenol.

Molecular Properties

Compound Name3-methyl-2-(propylaminomethyl)phenol
PubChem CID142457021
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-methyl-2-(propylaminomethyl)phenol
SMILESCCCNCc1c(C)cccc1O
InChIInChI=1S/C11H17NO/c1-3-7-12-8-10-9(2)5-4-6-11(10)13/h4-6,12-13H,3,7-8H2,1-2H3
InChIKeyCVICJABZINITGU-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-2-(propylaminomethyl)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

2-butyl-3-methylphenol
CID 174788119
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
2-hexyl-3-methylphenol
CID 28322
3-amino-2-[(pentylamino)methyl]phenol
CID 69382223
(2S)-4-[(2,6-dimethylphenyl)methylamino]butan-2-ol
CID 97358416
2-(hydroxymethyl)-3-methylphenol
CID 10997099
2-butyl-3-methylphenol;2,3-dimethylphenol
CID 67848527
2-[(2-chloro-6-methylphenyl)methylamino]ethanol
CID 54352748
2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-propylacetamide
CID 78959666
2-(butylaminomethyl)-6-methylphenol
CID 82669937
1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol
CID 115897828
(2-hydroxy-6-methylphenyl)methanesulfonic acid;octane
CID 174514147

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(propylaminomethyl)phenol?
The IUPAC name of 3-methyl-2-(propylaminomethyl)phenol (CID 142457021) is 3-methyl-2-(propylaminomethyl)phenol.
What is the SMILES notation for 3-methyl-2-(propylaminomethyl)phenol?
The canonical SMILES for 3-methyl-2-(propylaminomethyl)phenol is CCCNCc1c(C)cccc1O.
What is the InChIKey of 3-methyl-2-(propylaminomethyl)phenol?
The InChIKey is CVICJABZINITGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-7-12-8-10-9(2)5-4-6-11(10)13/h4-6,12-13H,3,7-8H2,1-2H3.
What are the key properties of 3-methyl-2-(propylaminomethyl)phenol?
3-methyl-2-(propylaminomethyl)phenol has a molecular weight of 179.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(propylaminomethyl)phenol is sourced from PubChem (CID 142457021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).