2-(5-aminopentan-2-yl)-3-methylphenol

C12H19NO — CID 83923785

IUPAC2-(5-aminopentan-2-yl)-3-methylphenol
SMILESCc1cccc(O)c1C(C)CCCN
InChIInChI=1S/C12H19NO/c1-9-5-3-7-11(14)12(9)10(2)6-4-8-13/h3,5,7,10,14H,4,6,8,13H2,1-2H3
InChIKeyHQWLRCMGOLWYRF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.54
Rot. Bonds4

About 2-(5-aminopentan-2-yl)-3-methylphenol

2-(5-aminopentan-2-yl)-3-methylphenol (PubChem CID 83923785) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(5-aminopentan-2-yl)-3-methylphenol.

Molecular Properties

Compound Name2-(5-aminopentan-2-yl)-3-methylphenol
PubChem CID83923785
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(5-aminopentan-2-yl)-3-methylphenol
SMILESCc1cccc(O)c1C(C)CCCN
InChIInChI=1S/C12H19NO/c1-9-5-3-7-11(14)12(9)10(2)6-4-8-13/h3,5,7,10,14H,4,6,8,13H2,1-2H3
InChIKeyHQWLRCMGOLWYRF-UHFFFAOYSA-N
XLogP2.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(5-aminopentan-2-yl)-3-methylphenol 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-(2,6-dichlorophenyl)pentan-1-amine
CID 83924946
2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol
CID 83923738
(1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine
CID 171223884
4-(2-chloro-6-fluorophenyl)pentan-1-amine
CID 83925264
2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol
CID 112717400
2-[(1R)-1-aminopropyl]-3-methylphenol
CID 130648593
2-(2-fluoro-6-methylphenyl)propan-1-amine
CID 84765270
4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one
CID 83923767
(1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol
CID 162967922
(3S)-3-amino-3-(2,6-dimethylphenyl)propan-1-ol
CID 130664971
2-(1-ethoxyethyl)-3-methylphenol
CID 67321462
4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol
CID 115113566

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopentan-2-yl)-3-methylphenol?
The IUPAC name of 2-(5-aminopentan-2-yl)-3-methylphenol (CID 83923785) is 2-(5-aminopentan-2-yl)-3-methylphenol.
What is the SMILES notation for 2-(5-aminopentan-2-yl)-3-methylphenol?
The canonical SMILES for 2-(5-aminopentan-2-yl)-3-methylphenol is Cc1cccc(O)c1C(C)CCCN.
What is the InChIKey of 2-(5-aminopentan-2-yl)-3-methylphenol?
The InChIKey is HQWLRCMGOLWYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-5-3-7-11(14)12(9)10(2)6-4-8-13/h3,5,7,10,14H,4,6,8,13H2,1-2H3.
What are the key properties of 2-(5-aminopentan-2-yl)-3-methylphenol?
2-(5-aminopentan-2-yl)-3-methylphenol has a molecular weight of 193.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopentan-2-yl)-3-methylphenol is sourced from PubChem (CID 83923785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).