[2-(heptan-2-ylamino)phenyl]methanol

C14H23NO — CID 43743067

IUPAC[2-(heptan-2-ylamino)phenyl]methanol
SMILESCCCCCC(C)Nc1ccccc1CO
InChIInChI=1S/C14H23NO/c1-3-4-5-8-12(2)15-14-10-7-6-9-13(14)11-16/h6-7,9-10,12,15-16H,3-5,8,11H2,1-2H3
InChIKeyXAYHBFGFGFIZNW-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.56
Rot. Bonds7

About [2-(heptan-2-ylamino)phenyl]methanol

[2-(heptan-2-ylamino)phenyl]methanol (PubChem CID 43743067) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is [2-(heptan-2-ylamino)phenyl]methanol.

Molecular Properties

Compound Name[2-(heptan-2-ylamino)phenyl]methanol
PubChem CID43743067
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name[2-(heptan-2-ylamino)phenyl]methanol
SMILESCCCCCC(C)Nc1ccccc1CO
InChIInChI=1S/C14H23NO/c1-3-4-5-8-12(2)15-14-10-7-6-9-13(14)11-16/h6-7,9-10,12,15-16H,3-5,8,11H2,1-2H3
InChIKeyXAYHBFGFGFIZNW-UHFFFAOYSA-N
XLogP3.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-(heptan-2-ylamino)phenyl]methanol 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-[2-(octan-2-ylamino)phenyl]acetamide
CID 43738518
N-octan-2-yl-2-(trifluoromethyl)aniline
CID 43129732
2-bromo-N-nonan-2-ylaniline
CID 43129843
2-(diethylaminomethyl)-N-hexan-2-ylaniline
CID 43787790
N-hexan-2-ylnaphthalen-1-amine
CID 43757471
2-(heptan-2-ylamino)benzonitrile
CID 43100327
2-(nonan-2-ylamino)benzonitrile
CID 43129839
[2-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43743342
methyl 2-[[(2R)-octan-2-yl]amino]benzoate
CID 93257053
[2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol
CID 93275520
[2-[[(2S,3R)-3-methylpentan-2-yl]amino]phenyl]methanol
CID 93275522
2,3-dimethyl-N-nonan-2-ylaniline
CID 43129897

Frequently Asked Questions

What is the IUPAC name of [2-(heptan-2-ylamino)phenyl]methanol?
The IUPAC name of [2-(heptan-2-ylamino)phenyl]methanol (CID 43743067) is [2-(heptan-2-ylamino)phenyl]methanol.
What is the SMILES notation for [2-(heptan-2-ylamino)phenyl]methanol?
The canonical SMILES for [2-(heptan-2-ylamino)phenyl]methanol is CCCCCC(C)Nc1ccccc1CO.
What is the InChIKey of [2-(heptan-2-ylamino)phenyl]methanol?
The InChIKey is XAYHBFGFGFIZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-5-8-12(2)15-14-10-7-6-9-13(14)11-16/h6-7,9-10,12,15-16H,3-5,8,11H2,1-2H3.
What are the key properties of [2-(heptan-2-ylamino)phenyl]methanol?
[2-(heptan-2-ylamino)phenyl]methanol has a molecular weight of 221.34 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(heptan-2-ylamino)phenyl]methanol is sourced from PubChem (CID 43743067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).