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

C14H20ClN — CID 62531188

IUPACN-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN/c1-2-11(10-16-14-7-8-14)9-12-3-5-13(15)6-4-12/h3-6,11,14,16H,2,7-10H2,1H3
InChIKeyXFAPWRNDUGJKMF-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.66
Rot. Bonds6

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

N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine (PubChem CID 62531188) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine
PubChem CID62531188
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN/c1-2-11(10-16-14-7-8-14)9-12-3-5-13(15)6-4-12/h3-6,11,14,16H,2,7-10H2,1H3
InChIKeyXFAPWRNDUGJKMF-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 62515917
N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 82930839
N-(2-benzylbutyl)-1-methylpiperidin-4-amine
CID 50954737
N-[2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 63523137
N-[2-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454944
2-[(4-chlorophenyl)methyl]butan-1-ol
CID 50898989
N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine
CID 113361839
N-[4-methyl-2-[(4-methylphenyl)methyl]heptyl]cyclopropanamine
CID 63522593
N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine
CID 62531192
N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63521924
N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine
CID 62516255
2-benzyl-N'-cyclopropylpropane-1,3-diamine
CID 117241556

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine (CID 62531188) is N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine is CCC(CNC1CC1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine?
The InChIKey is XFAPWRNDUGJKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-2-11(10-16-14-7-8-14)9-12-3-5-13(15)6-4-12/h3-6,11,14,16H,2,7-10H2,1H3.
What are the key properties of N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine?
N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine has a molecular weight of 237.77 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine is sourced from PubChem (CID 62531188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).