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

C16H22ClN — CID 79678984

IUPACN-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine
SMILESCC1CCCC1(CNC1CC1)c1ccccc1Cl
InChIInChI=1S/C16H22ClN/c1-12-5-4-10-16(12,11-18-13-8-9-13)14-6-2-3-7-15(14)17/h2-3,6-7,12-13,18H,4-5,8-11H2,1H3
InChIKeyUCEWXHYPONPLLL-UHFFFAOYSA-N
MW263.81 g/mol
LogP4.15
Rot. Bonds4

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

N-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine (PubChem CID 79678984) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is N-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine
PubChem CID79678984
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC NameN-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine
SMILESCC1CCCC1(CNC1CC1)c1ccccc1Cl
InChIInChI=1S/C16H22ClN/c1-12-5-4-10-16(12,11-18-13-8-9-13)14-6-2-3-7-15(14)17/h2-3,6-7,12-13,18H,4-5,8-11H2,1H3
InChIKeyUCEWXHYPONPLLL-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
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)-2-methylcyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine (CID 79678984) is N-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine is CC1CCCC1(CNC1CC1)c1ccccc1Cl.
What is the InChIKey of N-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine?
The InChIKey is UCEWXHYPONPLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN/c1-12-5-4-10-16(12,11-18-13-8-9-13)14-6-2-3-7-15(14)17/h2-3,6-7,12-13,18H,4-5,8-11H2,1H3.
What are the key properties of N-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine?
N-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine has a molecular weight of 263.81 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 79678984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).