2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol

C16H25NO — CID 102809836

IUPAC2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol
SMILESCc1cccc(CNC2CCCC(C)CC2)c1O
InChIInChI=1S/C16H25NO/c1-12-5-3-8-15(10-9-12)17-11-14-7-4-6-13(2)16(14)18/h4,6-7,12,15,17-18H,3,5,8-11H2,1-2H3
InChIKeyAWDPRCHBUYQJCX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.76
Rot. Bonds3

About 2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol

2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol (PubChem CID 102809836) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol
PubChem CID102809836
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol
SMILESCc1cccc(CNC2CCCC(C)CC2)c1O
InChIInChI=1S/C16H25NO/c1-12-5-3-8-15(10-9-12)17-11-14-7-4-6-13(2)16(14)18/h4,6-7,12,15,17-18H,3,5,8-11H2,1-2H3
InChIKeyAWDPRCHBUYQJCX-UHFFFAOYSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]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-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol
CID 102795067
2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol
CID 115908013
2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol
CID 83295501
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol
CID 112554896
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031
2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol
CID 112554340
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol
CID 115904880
4-methyl-N-(quinolin-8-ylmethyl)cycloheptan-1-amine
CID 81426138
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 115951249
cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 95376461

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol?
The IUPAC name of 2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol (CID 102809836) is 2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol.
What is the SMILES notation for 2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol?
The canonical SMILES for 2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol is Cc1cccc(CNC2CCCC(C)CC2)c1O.
What is the InChIKey of 2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol?
The InChIKey is AWDPRCHBUYQJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-5-3-8-15(10-9-12)17-11-14-7-4-6-13(2)16(14)18/h4,6-7,12,15,17-18H,3,5,8-11H2,1-2H3.
What are the key properties of 2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol?
2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol has a molecular weight of 247.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol is sourced from PubChem (CID 102809836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).