[2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine

C16H24ClN — CID 81012361

IUPAC[2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)C(c2cccc(Cl)c2)C1
InChIInChI=1S/C16H24ClN/c1-11(2)12-6-7-14(10-18)16(9-12)13-4-3-5-15(17)8-13/h3-5,8,11-12,14,16H,6-7,9-10,18H2,1-2H3
InChIKeyKCZDRBGYIPTCDR-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.45
Rot. Bonds3

About [2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine

[2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 81012361) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID81012361
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name[2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)C(c2cccc(Cl)c2)C1
InChIInChI=1S/C16H24ClN/c1-11(2)12-6-7-14(10-18)16(9-12)13-4-3-5-15(17)8-13/h3-5,8,11-12,14,16H,6-7,9-10,18H2,1-2H3
InChIKeyKCZDRBGYIPTCDR-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine (CID 81012361) is [2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)C(c2cccc(Cl)c2)C1.
What is the InChIKey of [2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is KCZDRBGYIPTCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-11(2)12-6-7-14(10-18)16(9-12)13-4-3-5-15(17)8-13/h3-5,8,11-12,14,16H,6-7,9-10,18H2,1-2H3.
What are the key properties of [2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine?
[2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 265.83 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 81012361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).