N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine

C17H26ClN — CID 81024853

IUPACN-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCCC1c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN/c1-17(2,3)19-12-14-6-4-5-7-16(14)13-8-10-15(18)11-9-13/h8-11,14,16,19H,4-7,12H2,1-3H3
InChIKeyQYGLEXCMSUHZLP-UHFFFAOYSA-N
MW279.86 g/mol
LogP5.00
Rot. Bonds3

About N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81024853) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81024853
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC NameN-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCCC1c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN/c1-17(2,3)19-12-14-6-4-5-7-16(14)13-8-10-15(18)11-9-13/h8-11,14,16,19H,4-7,12H2,1-3H3
InChIKeyQYGLEXCMSUHZLP-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.86
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 81024853) is N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCCCC1c1ccc(Cl)cc1.
What is the InChIKey of N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is QYGLEXCMSUHZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-17(2,3)19-12-14-6-4-5-7-16(14)13-8-10-15(18)11-9-13/h8-11,14,16,19H,4-7,12H2,1-3H3.
What are the key properties of N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 279.86 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81024853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).