N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine

C16H22ClN — CID 62723797

IUPACN-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESClc1ccccc1CC1(CNC2CC2)CCCC1
InChIInChI=1S/C16H22ClN/c17-15-6-2-1-5-13(15)11-16(9-3-4-10-16)12-18-14-7-8-14/h1-2,5-6,14,18H,3-4,7-12H2
InChIKeyJCUDBCLCUDCTRS-UHFFFAOYSA-N
MW263.81 g/mol
LogP4.19
Rot. Bonds5

About N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine

N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine (PubChem CID 62723797) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
PubChem CID62723797
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESClc1ccccc1CC1(CNC2CC2)CCCC1
InChIInChI=1S/C16H22ClN/c17-15-6-2-1-5-13(15)11-16(9-3-4-10-16)12-18-14-7-8-14/h1-2,5-6,14,18H,3-4,7-12H2
InChIKeyJCUDBCLCUDCTRS-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine (CID 62723797) is N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine is Clc1ccccc1CC1(CNC2CC2)CCCC1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
The InChIKey is JCUDBCLCUDCTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN/c17-15-6-2-1-5-13(15)11-16(9-3-4-10-16)12-18-14-7-8-14/h1-2,5-6,14,18H,3-4,7-12H2.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine has a molecular weight of 263.81 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 62723797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).