N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine

C17H26ClN — CID 81023967

IUPACN-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCC1c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN/c1-13(2)11-19-12-15-5-3-4-6-17(15)14-7-9-16(18)10-8-14/h7-10,13,15,17,19H,3-6,11-12H2,1-2H3
InChIKeyYRAJPODUOKGSOW-UHFFFAOYSA-N
MW279.86 g/mol
LogP4.86
Rot. Bonds5

About N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81023967) 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-1-amine.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81023967
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC NameN-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCC1c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN/c1-13(2)11-19-12-15-5-3-4-6-17(15)14-7-9-16(18)10-8-14/h7-10,13,15,17,19H,3-6,11-12H2,1-2H3
InChIKeyYRAJPODUOKGSOW-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.86
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024275
N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81034748
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027108
N-[[2-(4-fluoro-3-methylphenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027541
2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine
CID 81022290
N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364574
N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027732
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024853
2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
CID 81025825
N-[[2-(2,6-difluoro-3-methylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 82805177
N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025016
N-[[2-(3,5-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028073

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine (CID 81023967) is N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCCC1c1ccc(Cl)cc1.
What is the InChIKey of N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is YRAJPODUOKGSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-13(2)11-19-12-15-5-3-4-6-17(15)14-7-9-16(18)10-8-14/h7-10,13,15,17,19H,3-6,11-12H2,1-2H3.
What are the key properties of N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 279.86 g/mol, XLogP of 4.86, 5 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-1-amine is sourced from PubChem (CID 81023967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).