1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine

C15H22ClN — CID 106121365

IUPAC1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine
SMILESCc1ccc(CNCC2CCC(Cl)C2)cc1C
InChIInChI=1S/C15H22ClN/c1-11-3-4-13(7-12(11)2)9-17-10-14-5-6-15(16)8-14/h3-4,7,14-15,17H,5-6,8-10H2,1-2H3
InChIKeyVRYJHYDGYBZFSH-UHFFFAOYSA-N
MW251.80 g/mol
LogP3.80
Rot. Bonds4

About 1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine

1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine (PubChem CID 106121365) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine
PubChem CID106121365
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine
SMILESCc1ccc(CNCC2CCC(Cl)C2)cc1C
InChIInChI=1S/C15H22ClN/c1-11-3-4-13(7-12(11)2)9-17-10-14-5-6-15(16)8-14/h3-4,7,14-15,17H,5-6,8-10H2,1-2H3
InChIKeyVRYJHYDGYBZFSH-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

1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 106120912
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine
CID 106121121
N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 106816651
4-[(cyclopropylmethylamino)methyl]-2-methylaniline
CID 61150758
N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 106133406
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 63451553
1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 114146431
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906123
N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 66472811
4-[[(3-chlorocyclohexyl)methylamino]methyl]phenol
CID 106122675

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine?
The IUPAC name of 1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine (CID 106121365) is 1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine is Cc1ccc(CNCC2CCC(Cl)C2)cc1C.
What is the InChIKey of 1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine?
The InChIKey is VRYJHYDGYBZFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-11-3-4-13(7-12(11)2)9-17-10-14-5-6-15(16)8-14/h3-4,7,14-15,17H,5-6,8-10H2,1-2H3.
What are the key properties of 1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine?
1-(3-chlorocyclopentyl)-N-[(3,4-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-[(3,4-dimethylphenyl)methyl]methanamine is sourced from PubChem (CID 106121365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).