N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine

C15H21BrClN — CID 113471444

IUPACN-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C15H21BrClN/c1-2-3-11(10-18-14-6-7-14)8-12-4-5-13(16)9-15(12)17/h4-5,9,11,14,18H,2-3,6-8,10H2,1H3
InChIKeyVDIBPVHWUGKFER-UHFFFAOYSA-N
MW330.70 g/mol
LogP4.81
Rot. Bonds7

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

N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine (PubChem CID 113471444) has the molecular formula C15H21BrClN and a molecular weight of 330.70 g/mol. Its IUPAC name is N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine
PubChem CID113471444
Molecular FormulaC15H21BrClN
Molecular Weight330.70 g/mol
Exact Mass329.05
IUPAC NameN-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C15H21BrClN/c1-2-3-11(10-18-14-6-7-14)8-12-4-5-13(16)9-15(12)17/h4-5,9,11,14,18H,2-3,6-8,10H2,1H3
InChIKeyVDIBPVHWUGKFER-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.70
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine
CID 113471443
N-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine
CID 62528331
N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 112654147
N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63522844
N-[2-[(2-chloro-6-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528339
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566
2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine
CID 62529520
[2-(4-bromo-2-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105224466
N-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine
CID 62528938
N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine
CID 55220297
2-[(2,4-dichlorophenyl)methyl]-N-ethylpentan-1-amine
CID 55196979
[2-(4-bromo-2-chlorophenyl)-1-cyclohexylethyl]hydrazine
CID 105201861

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine (CID 113471444) is N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine is CCCC(CNC1CC1)Cc1ccc(Br)cc1Cl.
What is the InChIKey of N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine?
The InChIKey is VDIBPVHWUGKFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN/c1-2-3-11(10-18-14-6-7-14)8-12-4-5-13(16)9-15(12)17/h4-5,9,11,14,18H,2-3,6-8,10H2,1H3.
What are the key properties of N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine?
N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine has a molecular weight of 330.70 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine is sourced from PubChem (CID 113471444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).