N-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine

C16H24ClN — CID 43081366

IUPACN-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
SMILESCC(NC1C(C)CCCC1C)c1ccccc1Cl
InChIInChI=1S/C16H24ClN/c1-11-7-6-8-12(2)16(11)18-13(3)14-9-4-5-10-15(14)17/h4-5,9-13,16,18H,6-8H2,1-3H3
InChIKeyAAHRZMRHNBYPBW-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.82
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine

N-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine (PubChem CID 43081366) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
PubChem CID43081366
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
SMILESCC(NC1C(C)CCCC1C)c1ccccc1Cl
InChIInChI=1S/C16H24ClN/c1-11-7-6-8-12(2)16(11)18-13(3)14-9-4-5-10-15(14)17/h4-5,9-13,16,18H,6-8H2,1-3H3
InChIKeyAAHRZMRHNBYPBW-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 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 ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81377645
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 81379546
N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471035
N-[1-(2-chlorophenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320693
N-[(1R)-1-(2-chlorophenyl)ethyl]thian-4-amine
CID 81376998
(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81377860
N-[1-(2-chlorophenyl)ethyl]oxan-4-amine
CID 43608488
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418524
N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
CID 114817141
4-tert-butyl-N-[1-(2-chlorophenyl)ethyl]cycloheptan-1-amine
CID 65089807
N-[(1S)-1-(2-chlorophenyl)ethyl]oxepan-4-amine
CID 81377433
2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103245807

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine (CID 43081366) is N-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine is CC(NC1C(C)CCCC1C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine?
The InChIKey is AAHRZMRHNBYPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-11-7-6-8-12(2)16(11)18-13(3)14-9-4-5-10-15(14)17/h4-5,9-13,16,18H,6-8H2,1-3H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine?
N-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 43081366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).