N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine

C17H24ClN — CID 81023868

IUPACN-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
SMILESClc1ccccc1CC1CCCCC1CNC1CC1
InChIInChI=1S/C17H24ClN/c18-17-8-4-3-6-14(17)11-13-5-1-2-7-15(13)12-19-16-9-10-16/h3-4,6,8,13,15-16,19H,1-2,5,7,9-12H2
InChIKeyBBVJEIVNCQABNQ-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.44
Rot. Bonds5

About N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine

N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine (PubChem CID 81023868) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
PubChem CID81023868
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC NameN-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
SMILESClc1ccccc1CC1CCCCC1CNC1CC1
InChIInChI=1S/C17H24ClN/c18-17-8-4-3-6-14(17)11-13-5-1-2-7-15(13)12-19-16-9-10-16/h3-4,6,8,13,15-16,19H,1-2,5,7,9-12H2
InChIKeyBBVJEIVNCQABNQ-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(2-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 81023259
N-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033598
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81027285
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027303
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81018063
N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81034512
N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 62579866
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 107889373
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81008869
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 81024776
N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017651

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine (CID 81023868) is N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine is Clc1ccccc1CC1CCCCC1CNC1CC1.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine?
The InChIKey is BBVJEIVNCQABNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c18-17-8-4-3-6-14(17)11-13-5-1-2-7-15(13)12-19-16-9-10-16/h3-4,6,8,13,15-16,19H,1-2,5,7,9-12H2.
What are the key properties of N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine?
N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine has a molecular weight of 277.84 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81023868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).