N-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine

C16H22ClN — CID 64595616

IUPACN-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine
SMILESClc1ccccc1CNC1CCCC(C2CC2)C1
InChIInChI=1S/C16H22ClN/c17-16-7-2-1-4-14(16)11-18-15-6-3-5-13(10-15)12-8-9-12/h1-2,4,7,12-13,15,18H,3,5-6,8-11H2
InChIKeyAEIZIRDMRGPXFZ-UHFFFAOYSA-N
MW263.81 g/mol
LogP4.40
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine

N-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine (PubChem CID 64595616) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine
PubChem CID64595616
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC NameN-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine
SMILESClc1ccccc1CNC1CCCC(C2CC2)C1
InChIInChI=1S/C16H22ClN/c17-16-7-2-1-4-14(16)11-18-15-6-3-5-13(10-15)12-8-9-12/h1-2,4,7,12-13,15,18H,3,5-6,8-11H2
InChIKeyAEIZIRDMRGPXFZ-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine
CID 114817057
3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 79762958
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453
3-cyclopropyl-N-[(3-ethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 82733186
4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride
CID 66569865
N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 103291927
3-cyclopropyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 64595027
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031
N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43221477
N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 66519955
N-[(2-chlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397679
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine
CID 42761712

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine (CID 64595616) is N-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine is Clc1ccccc1CNC1CCCC(C2CC2)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine?
The InChIKey is AEIZIRDMRGPXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN/c17-16-7-2-1-4-14(16)11-18-15-6-3-5-13(10-15)12-8-9-12/h1-2,4,7,12-13,15,18H,3,5-6,8-11H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine?
N-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine has a molecular weight of 263.81 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine is sourced from PubChem (CID 64595616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).