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

C17H26ClN — CID 81023958

IUPACN-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCCC1c1ccccc1Cl
InChIInChI=1S/C17H26ClN/c1-17(2,3)19-12-13-8-4-5-9-14(13)15-10-6-7-11-16(15)18/h6-7,10-11,13-14,19H,4-5,8-9,12H2,1-3H3
InChIKeyHKECXSNDEXBYGN-UHFFFAOYSA-N
MW279.85 g/mol
LogP5.00
Rot. Bonds3

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

N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81023958) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81023958
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC NameN-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCCC1c1ccccc1Cl
InChIInChI=1S/C17H26ClN/c1-17(2,3)19-12-13-8-4-5-9-14(13)15-10-6-7-11-16(15)18/h6-7,10-11,13-14,19H,4-5,8-9,12H2,1-3H3
InChIKeyHKECXSNDEXBYGN-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 ≤ 500279.85
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine
CID 81028338
N-[[2-(2-chlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 81026699
N-[[2-(4-chloro-2-fluorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024708
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024853
N-[[2-(4-chloro-2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 81032805
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81027285
N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 106763843
N-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022399
N-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 81025130
N-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine
CID 81018227
N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine
CID 81025276
2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine
CID 81027530

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 81023958) is N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCCCC1c1ccccc1Cl.
What is the InChIKey of N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is HKECXSNDEXBYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-17(2,3)19-12-13-8-4-5-9-14(13)15-10-6-7-11-16(15)18/h6-7,10-11,13-14,19H,4-5,8-9,12H2,1-3H3.
What are the key properties of N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 279.85 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-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81023958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).