N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine

C16H25N — CID 64908240

IUPACN-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCc1ccc(CNC2CCC(C)C2C)cc1C
InChIInChI=1S/C16H25N/c1-11-5-7-15(9-13(11)3)10-17-16-8-6-12(2)14(16)4/h5,7,9,12,14,16-17H,6,8,10H2,1-4H3
InChIKeyLEXRWAUSMHWATL-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.83
Rot. Bonds3

About N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine

N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 64908240) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID64908240
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCc1ccc(CNC2CCC(C)C2C)cc1C
InChIInChI=1S/C16H25N/c1-11-5-7-15(9-13(11)3)10-17-16-8-6-12(2)14(16)4/h5,7,9,12,14,16-17H,6,8,10H2,1-4H3
InChIKeyLEXRWAUSMHWATL-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Rasagiline
CID 3052776
(1S)-2,3-Dihydro-N-2-propyn-1-yl-1H-inden-1-amine
CID 5289310
Cyclopentyl-(1-phenyl-ethyl)-amine
CID 427071
N-methyl-2,3-dihydro-1H-inden-1-amine
CID 16774798
N-Methyl-1(R)-aminoindan
CID 5494442
Racemic rasagiline
CID 122316
N-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine
CID 56661208
N'-[1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethyl]-N,N-dimethylpropane-1,3-diamine
CID 3396601
4aH-Fluoren-4a-amine, 1,2,3,4,9,9a-hexahydro-N,4
CID 19107113
5-(4-Fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 44825837
N-methyl-3-phenyl-indan-1-amine;hydrochloride
CID 45260274
(4aR)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
CID 57391438

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine (CID 64908240) is N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine is Cc1ccc(CNC2CCC(C)C2C)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is LEXRWAUSMHWATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11-5-7-15(9-13(11)3)10-17-16-8-6-12(2)14(16)4/h5,7,9,12,14,16-17H,6,8,10H2,1-4H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64908240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).