methyl 2-[(4-methylcycloheptyl)amino]benzoate

C16H23NO2 — CID 65081177

IUPACmethyl 2-[(4-methylcycloheptyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC1CCCC(C)CC1
InChIInChI=1S/C16H23NO2/c1-12-6-5-7-13(11-10-12)17-15-9-4-3-8-14(15)16(18)19-2/h3-4,8-9,12-13,17H,5-7,10-11H2,1-2H3
InChIKeyUODZQPACHFLPIJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.85
Rot. Bonds3

About methyl 2-[(4-methylcycloheptyl)amino]benzoate

methyl 2-[(4-methylcycloheptyl)amino]benzoate (PubChem CID 65081177) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 2-[(4-methylcycloheptyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-methylcycloheptyl)amino]benzoate
PubChem CID65081177
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 2-[(4-methylcycloheptyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC1CCCC(C)CC1
InChIInChI=1S/C16H23NO2/c1-12-6-5-7-13(11-10-12)17-15-9-4-3-8-14(15)16(18)19-2/h3-4,8-9,12-13,17H,5-7,10-11H2,1-2H3
InChIKeyUODZQPACHFLPIJ-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(4-methylcycloheptyl)amino]benzoate 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

methyl 2-(cyclopropylamino)benzoate
CID 83697867
methyl 2-[(4,4-dimethylcycloheptyl)amino]benzoate
CID 65084413
methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate
CID 43139508
methyl 2-[(2-methylcyclopentyl)amino]benzoate
CID 65046829
methyl 2-[(3,3,5-trimethylcyclohexyl)amino]benzoate
CID 43321992
ethyl 2-(cyclopropylamino)benzoate
CID 103438878
methyl 2-amino-3-(cyclooctylamino)benzoate
CID 115544352
methyl 2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzoate
CID 115998672
5-fluoro-2-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101996
methyl 2-(cyclopentylamino)-5-methylbenzoate
CID 43679174
N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine
CID 65081271
methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate
CID 79864939

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylcycloheptyl)amino]benzoate?
The IUPAC name of methyl 2-[(4-methylcycloheptyl)amino]benzoate (CID 65081177) is methyl 2-[(4-methylcycloheptyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(4-methylcycloheptyl)amino]benzoate?
The canonical SMILES for methyl 2-[(4-methylcycloheptyl)amino]benzoate is COC(=O)c1ccccc1NC1CCCC(C)CC1.
What is the InChIKey of methyl 2-[(4-methylcycloheptyl)amino]benzoate?
The InChIKey is UODZQPACHFLPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-6-5-7-13(11-10-12)17-15-9-4-3-8-14(15)16(18)19-2/h3-4,8-9,12-13,17H,5-7,10-11H2,1-2H3.
What are the key properties of methyl 2-[(4-methylcycloheptyl)amino]benzoate?
methyl 2-[(4-methylcycloheptyl)amino]benzoate has a molecular weight of 261.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methylcycloheptyl)amino]benzoate is sourced from PubChem (CID 65081177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).