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

C15H22ClN — CID 62528331

IUPACN-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Cc1ccccc1Cl
InChIInChI=1S/C15H22ClN/c1-2-5-12(11-17-14-8-9-14)10-13-6-3-4-7-15(13)16/h3-4,6-7,12,14,17H,2,5,8-11H2,1H3
InChIKeyATMDJLPLEYSWIM-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.05
Rot. Bonds7

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

N-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine (PubChem CID 62528331) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine
PubChem CID62528331
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Cc1ccccc1Cl
InChIInChI=1S/C15H22ClN/c1-2-5-12(11-17-14-8-9-14)10-13-6-3-4-7-15(13)16/h3-4,6-7,12,14,17H,2,5,8-11H2,1H3
InChIKeyATMDJLPLEYSWIM-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63522844
N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine
CID 113471444
N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 112654147
N-[2-[(2-chloro-6-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528339
N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine
CID 55220297
N-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine
CID 106705961
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 62411722
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
CID 43677397
N-[2-[(2-bromophenyl)methyl]-4-butoxybutyl]cyclopropanamine
CID 62514411
N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 102858662
2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 55196988
N-(5-phenyl-2-propylpentyl)cyclopropanamine
CID 63498686

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine (CID 62528331) is N-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine is CCCC(CNC1CC1)Cc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine?
The InChIKey is ATMDJLPLEYSWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-2-5-12(11-17-14-8-9-14)10-13-6-3-4-7-15(13)16/h3-4,6-7,12,14,17H,2,5,8-11H2,1H3.
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine?
N-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine has a molecular weight of 251.80 g/mol, XLogP of 4.05, 7 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]pentyl]cyclopropanamine is sourced from PubChem (CID 62528331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).