(3-amino-5-methylphenyl)-cyclopentylmethanone

C13H17NO — CID 130689709

IUPAC(3-amino-5-methylphenyl)-cyclopentylmethanone
SMILESCc1cc(N)cc(C(=O)C2CCCC2)c1
InChIInChI=1S/C13H17NO/c1-9-6-11(8-12(14)7-9)13(15)10-4-2-3-5-10/h6-8,10H,2-5,14H2,1H3
InChIKeyKCINZPVNERAHKF-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.95
Rot. Bonds2

About (3-amino-5-methylphenyl)-cyclopentylmethanone

(3-amino-5-methylphenyl)-cyclopentylmethanone (PubChem CID 130689709) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (3-amino-5-methylphenyl)-cyclopentylmethanone.

Molecular Properties

Compound Name(3-amino-5-methylphenyl)-cyclopentylmethanone
PubChem CID130689709
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(3-amino-5-methylphenyl)-cyclopentylmethanone
SMILESCc1cc(N)cc(C(=O)C2CCCC2)c1
InChIInChI=1S/C13H17NO/c1-9-6-11(8-12(14)7-9)13(15)10-4-2-3-5-10/h6-8,10H,2-5,14H2,1H3
InChIKeyKCINZPVNERAHKF-UHFFFAOYSA-N
XLogP2.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclobutyl-(3,5-dimethylphenyl)methanone
CID 24724134
(3-amino-5-chlorophenyl)-cycloheptylmethanone
CID 116597497
(3-chloro-5-methylphenyl)-cyclobutylmethanone
CID 115811495
3-amino-N-cyclohexyl-5-methylbenzamide
CID 113396098
cyclopentyl-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65298882
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-5-methylphenyl)methanone
CID 102725157
(4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone
CID 114329532
(3,5-dimethylphenyl)-piperidin-2-ylmethanone
CID 82285234
8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone
CID 171944750
cyclopentyl-(3,5-dibromophenyl)methanone
CID 107976355
(4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone
CID 114329540
cyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone
CID 168950566

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methylphenyl)-cyclopentylmethanone?
The IUPAC name of (3-amino-5-methylphenyl)-cyclopentylmethanone (CID 130689709) is (3-amino-5-methylphenyl)-cyclopentylmethanone.
What is the SMILES notation for (3-amino-5-methylphenyl)-cyclopentylmethanone?
The canonical SMILES for (3-amino-5-methylphenyl)-cyclopentylmethanone is Cc1cc(N)cc(C(=O)C2CCCC2)c1.
What is the InChIKey of (3-amino-5-methylphenyl)-cyclopentylmethanone?
The InChIKey is KCINZPVNERAHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-6-11(8-12(14)7-9)13(15)10-4-2-3-5-10/h6-8,10H,2-5,14H2,1H3.
What are the key properties of (3-amino-5-methylphenyl)-cyclopentylmethanone?
(3-amino-5-methylphenyl)-cyclopentylmethanone has a molecular weight of 203.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methylphenyl)-cyclopentylmethanone is sourced from PubChem (CID 130689709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).