N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine

C17H24ClN — CID 81025016

IUPACN-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
SMILESClc1ccc(C2CCCCCC2CNC2CC2)cc1
InChIInChI=1S/C17H24ClN/c18-15-8-6-13(7-9-15)17-5-3-1-2-4-14(17)12-19-16-10-11-16/h6-9,14,16-17,19H,1-5,10-12H2
InChIKeyMFDDUWNXWFRBHO-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.76
Rot. Bonds4

About N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine

N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine (PubChem CID 81025016) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
PubChem CID81025016
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC NameN-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
SMILESClc1ccc(C2CCCCCC2CNC2CC2)cc1
InChIInChI=1S/C17H24ClN/c18-15-8-6-13(7-9-15)17-5-3-1-2-4-14(17)12-19-16-10-11-16/h6-9,14,16-17,19H,1-5,10-12H2
InChIKeyMFDDUWNXWFRBHO-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 116507104
N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine
CID 81024481
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024853
N-[[2-(furan-3-yl)cyclohexyl]methyl]cyclopropanamine
CID 81024920
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027108
N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81029797
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023967
N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81034354
N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025221
N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 81026617
N-[[2-(6-methyl-3-pyridinyl)cyclopentyl]methyl]cyclopropanamine
CID 81034690
1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine
CID 81017888

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine (CID 81025016) is N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine is Clc1ccc(C2CCCCCC2CNC2CC2)cc1.
What is the InChIKey of N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine?
The InChIKey is MFDDUWNXWFRBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c18-15-8-6-13(7-9-15)17-5-3-1-2-4-14(17)12-19-16-10-11-16/h6-9,14,16-17,19H,1-5,10-12H2.
What are the key properties of N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine?
N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine has a molecular weight of 277.84 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 81025016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).