1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine

C15H22ClN — CID 106120912

IUPAC1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
SMILESCc1cc(C)cc(CNCC2CCC(Cl)C2)c1
InChIInChI=1S/C15H22ClN/c1-11-5-12(2)7-14(6-11)10-17-9-13-3-4-15(16)8-13/h5-7,13,15,17H,3-4,8-10H2,1-2H3
InChIKeyKWOCBODORGBGAW-UHFFFAOYSA-N
MW251.80 g/mol
LogP3.80
Rot. Bonds4

About 1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine

1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine (PubChem CID 106120912) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
PubChem CID106120912
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
SMILESCc1cc(C)cc(CNCC2CCC(Cl)C2)c1
InChIInChI=1S/C15H22ClN/c1-11-5-12(2)7-14(6-11)10-17-9-13-3-4-15(16)8-13/h5-7,13,15,17H,3-4,8-10H2,1-2H3
InChIKeyKWOCBODORGBGAW-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270774
N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine
CID 46231501
1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 106121365
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699898
1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine
CID 106121121
1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine
CID 114146428
2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927033
1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 114146431
3-[[(3-chloro-5-methylphenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 167793543
3-[[(3-methylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270659
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417631
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456073

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine?
The IUPAC name of 1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine (CID 106120912) is 1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine is Cc1cc(C)cc(CNCC2CCC(Cl)C2)c1.
What is the InChIKey of 1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine?
The InChIKey is KWOCBODORGBGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-11-5-12(2)7-14(6-11)10-17-9-13-3-4-15(16)8-13/h5-7,13,15,17H,3-4,8-10H2,1-2H3.
What are the key properties of 1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine?
1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine has a molecular weight of 251.80 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine is sourced from PubChem (CID 106120912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).