N-[2-(4-chlorophenyl)hexyl]cyclopropanamine

C15H22ClN — CID 79437438

IUPACN-[2-(4-chlorophenyl)hexyl]cyclopropanamine
SMILESCCCCC(CNC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-2-3-4-13(11-17-15-9-10-15)12-5-7-14(16)8-6-12/h5-8,13,15,17H,2-4,9-11H2,1H3
InChIKeyAMRIAUWNKMCADK-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.37
Rot. Bonds7

About N-[2-(4-chlorophenyl)hexyl]cyclopropanamine

N-[2-(4-chlorophenyl)hexyl]cyclopropanamine (PubChem CID 79437438) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)hexyl]cyclopropanamine
PubChem CID79437438
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[2-(4-chlorophenyl)hexyl]cyclopropanamine
SMILESCCCCC(CNC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-2-3-4-13(11-17-15-9-10-15)12-5-7-14(16)8-6-12/h5-8,13,15,17H,2-4,9-11H2,1H3
InChIKeyAMRIAUWNKMCADK-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)hexyl]cyclopropanamine?
The IUPAC name of N-[2-(4-chlorophenyl)hexyl]cyclopropanamine (CID 79437438) is N-[2-(4-chlorophenyl)hexyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-chlorophenyl)hexyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-chlorophenyl)hexyl]cyclopropanamine is CCCCC(CNC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)hexyl]cyclopropanamine?
The InChIKey is AMRIAUWNKMCADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-2-3-4-13(11-17-15-9-10-15)12-5-7-14(16)8-6-12/h5-8,13,15,17H,2-4,9-11H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)hexyl]cyclopropanamine?
N-[2-(4-chlorophenyl)hexyl]cyclopropanamine has a molecular weight of 251.80 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)hexyl]cyclopropanamine is sourced from PubChem (CID 79437438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).