5-(cycloheptylmethylamino)-2-methylphenol

C15H23NO — CID 107699720

IUPAC5-(cycloheptylmethylamino)-2-methylphenol
SMILESCc1ccc(NCC2CCCCCC2)cc1O
InChIInChI=1S/C15H23NO/c1-12-8-9-14(10-15(12)17)16-11-13-6-4-2-3-5-7-13/h8-10,13,16-17H,2-7,11H2,1H3
InChIKeyNHPDZTIXSGJYMR-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.08
Rot. Bonds3

About 5-(cycloheptylmethylamino)-2-methylphenol

5-(cycloheptylmethylamino)-2-methylphenol (PubChem CID 107699720) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 5-(cycloheptylmethylamino)-2-methylphenol.

Molecular Properties

Compound Name5-(cycloheptylmethylamino)-2-methylphenol
PubChem CID107699720
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name5-(cycloheptylmethylamino)-2-methylphenol
SMILESCc1ccc(NCC2CCCCCC2)cc1O
InChIInChI=1S/C15H23NO/c1-12-8-9-14(10-15(12)17)16-11-13-6-4-2-3-5-7-13/h8-10,13,16-17H,2-7,11H2,1H3
InChIKeyNHPDZTIXSGJYMR-UHFFFAOYSA-N
XLogP4.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(cycloheptylmethylamino)-2-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

5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol
CID 107700302
N-(cyclohexylmethyl)-3,4-dimethylaniline
CID 18778522
2-methyl-5-(thiolan-3-ylmethylamino)phenol
CID 107700911
N-(cyclohexylmethyl)-4-iodo-3-methylaniline
CID 166607285
2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107700090
4-(cyclooctylmethylamino)phenol
CID 53404225
N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol
CID 107700272
tert-butyl 2-[(3-hydroxy-4-methylanilino)methyl]pyrrolidine-1-carboxylate
CID 107700259
N-(cyclopentylmethyl)-3,4-difluoroaniline
CID 61344637
1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376953
1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone
CID 104528374

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylmethylamino)-2-methylphenol?
The IUPAC name of 5-(cycloheptylmethylamino)-2-methylphenol (CID 107699720) is 5-(cycloheptylmethylamino)-2-methylphenol.
What is the SMILES notation for 5-(cycloheptylmethylamino)-2-methylphenol?
The canonical SMILES for 5-(cycloheptylmethylamino)-2-methylphenol is Cc1ccc(NCC2CCCCCC2)cc1O.
What is the InChIKey of 5-(cycloheptylmethylamino)-2-methylphenol?
The InChIKey is NHPDZTIXSGJYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-8-9-14(10-15(12)17)16-11-13-6-4-2-3-5-7-13/h8-10,13,16-17H,2-7,11H2,1H3.
What are the key properties of 5-(cycloheptylmethylamino)-2-methylphenol?
5-(cycloheptylmethylamino)-2-methylphenol has a molecular weight of 233.35 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylmethylamino)-2-methylphenol is sourced from PubChem (CID 107699720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).