1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine

C16H24ClN — CID 65030361

IUPAC1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine
SMILESCC1CCCC(CCl)(NCCc2ccccc2)C1
InChIInChI=1S/C16H24ClN/c1-14-6-5-10-16(12-14,13-17)18-11-9-15-7-3-2-4-8-15/h2-4,7-8,14,18H,5-6,9-13H2,1H3
InChIKeyBABNWNDRIAAMNL-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.01
Rot. Bonds5

About 1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine

1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine (PubChem CID 65030361) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine
PubChem CID65030361
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine
SMILESCC1CCCC(CCl)(NCCc2ccccc2)C1
InChIInChI=1S/C16H24ClN/c1-14-6-5-10-16(12-14,13-17)18-11-9-15-7-3-2-4-8-15/h2-4,7-8,14,18H,5-6,9-13H2,1H3
InChIKeyBABNWNDRIAAMNL-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine (CID 65030361) is 1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine is CC1CCCC(CCl)(NCCc2ccccc2)C1.
What is the InChIKey of 1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine?
The InChIKey is BABNWNDRIAAMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-14-6-5-10-16(12-14,13-17)18-11-9-15-7-3-2-4-8-15/h2-4,7-8,14,18H,5-6,9-13H2,1H3.
What are the key properties of 1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine?
1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine is sourced from PubChem (CID 65030361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).