[1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine

C15H23N — CID 62725292

IUPAC[1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine
SMILESCc1ccc(C)c(CC2(CN)CCCC2)c1
InChIInChI=1S/C15H23N/c1-12-5-6-13(2)14(9-12)10-15(11-16)7-3-4-8-15/h5-6,9H,3-4,7-8,10-11,16H2,1-2H3
InChIKeyCWRFGVHQZIBXCQ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.37
Rot. Bonds3

About [1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine

[1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine (PubChem CID 62725292) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is [1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine
PubChem CID62725292
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name[1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine
SMILESCc1ccc(C)c(CC2(CN)CCCC2)c1
InChIInChI=1S/C15H23N/c1-12-5-6-13(2)14(9-12)10-15(11-16)7-3-4-8-15/h5-6,9H,3-4,7-8,10-11,16H2,1-2H3
InChIKeyCWRFGVHQZIBXCQ-UHFFFAOYSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[1-(bromomethyl)cyclohexyl]methyl]-1,4-dimethylbenzene
CID 66050873
N-[[1-[(2,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194883
[1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 105375873
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829
8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol
CID 114819189
1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine
CID 54958154
2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 63407081
1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246164
1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 63486852
3-(chloromethyl)-3-[(2,5-dimethylphenyl)methyl]oxolane
CID 66036150
N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026917
1-[4-[(2,5-dimethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 55131213

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine?
The IUPAC name of [1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine (CID 62725292) is [1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine is Cc1ccc(C)c(CC2(CN)CCCC2)c1.
What is the InChIKey of [1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine?
The InChIKey is CWRFGVHQZIBXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12-5-6-13(2)14(9-12)10-15(11-16)7-3-4-8-15/h5-6,9H,3-4,7-8,10-11,16H2,1-2H3.
What are the key properties of [1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine?
[1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine has a molecular weight of 217.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 62725292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).