2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol

C14H23NO — CID 117317044

IUPAC2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol
SMILESCc1ccc(C(C)C)c(O)c1CCCCN
InChIInChI=1S/C14H23NO/c1-10(2)12-8-7-11(3)13(14(12)16)6-4-5-9-15/h7-8,10,16H,4-6,9,15H2,1-3H3
InChIKeyGXQMPDMQKNLXII-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.11
Rot. Bonds5

About 2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol

2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol (PubChem CID 117317044) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol
PubChem CID117317044
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol
SMILESCc1ccc(C(C)C)c(O)c1CCCCN
InChIInChI=1S/C14H23NO/c1-10(2)12-8-7-11(3)13(14(12)16)6-4-5-9-15/h7-8,10,16H,4-6,9,15H2,1-3H3
InChIKeyGXQMPDMQKNLXII-UHFFFAOYSA-N
XLogP3.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol 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-ethyl-3-methyl-6-propan-2-ylphenol
CID 141031385
1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one
CID 84674442
2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol
CID 117316995
3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-methylpropanoic acid
CID 84699462
2-(2-hydroxyethyl)-3,6-di(propan-2-yl)phenol
CID 117318714
2-(2-amino-1-hydroxyethyl)-6-methyl-3-propan-2-ylphenol
CID 84677143
4-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 96657410
2-(4-aminobutyl)benzene-1,3-diol
CID 117278743
3-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)propanoic acid
CID 84687629
4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine
CID 117317050
3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine
CID 82266848
2-tert-butyl-3-methyl-6-propan-2-ylphenol
CID 23086797

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol?
The IUPAC name of 2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol (CID 117317044) is 2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol.
What is the SMILES notation for 2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol?
The canonical SMILES for 2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol is Cc1ccc(C(C)C)c(O)c1CCCCN.
What is the InChIKey of 2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol?
The InChIKey is GXQMPDMQKNLXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)12-8-7-11(3)13(14(12)16)6-4-5-9-15/h7-8,10,16H,4-6,9,15H2,1-3H3.
What are the key properties of 2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol?
2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol has a molecular weight of 221.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol is sourced from PubChem (CID 117317044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).