1-(chloromethyl)-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine

C16H24ClN — CID 65026217

IUPAC1-(chloromethyl)-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
SMILESCc1cc(C)c(CNC2(CCl)CCCC2)c(C)c1
InChIInChI=1S/C16H24ClN/c1-12-8-13(2)15(14(3)9-12)10-18-16(11-17)6-4-5-7-16/h8-9,18H,4-7,10-11H2,1-3H3
InChIKeyJQRAWBAGCKCYKD-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.25
Rot. Bonds4

About 1-(chloromethyl)-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine

1-(chloromethyl)-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine (PubChem CID 65026217) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 1-(chloromethyl)-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
PubChem CID65026217
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name1-(chloromethyl)-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
SMILESCc1cc(C)c(CNC2(CCl)CCCC2)c(C)c1
InChIInChI=1S/C16H24ClN/c1-12-8-13(2)15(14(3)9-12)10-18-16(11-17)6-4-5-7-16/h8-9,18H,4-7,10-11H2,1-3H3
InChIKeyJQRAWBAGCKCYKD-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.25
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-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine
CID 65025938
1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine
CID 106869831
1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine
CID 65025996
1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine
CID 114349116
1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine
CID 65026218
1-(chloromethyl)-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
CID 65025594
1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 79260980
2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 79861658
N-[(4-chloro-3-fluorophenyl)methyl]-1-(chloromethyl)cyclopentan-1-amine
CID 107887426
1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine
CID 80603495
1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine
CID 55185820
N-[(4-bromo-2-fluorophenyl)methyl]-1-(chloromethyl)cyclohexan-1-amine
CID 65024824

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine (CID 65026217) is 1-(chloromethyl)-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine is Cc1cc(C)c(CNC2(CCl)CCCC2)c(C)c1.
What is the InChIKey of 1-(chloromethyl)-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is JQRAWBAGCKCYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-12-8-13(2)15(14(3)9-12)10-18-16(11-17)6-4-5-7-16/h8-9,18H,4-7,10-11H2,1-3H3.
What are the key properties of 1-(chloromethyl)-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
1-(chloromethyl)-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 65026217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).