N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine

C16H15BrClN — CID 171934626

IUPACN-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine
SMILESClc1c(Br)cccc1-c1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H15BrClN/c17-15-3-1-2-14(16(15)18)12-6-4-11(5-7-12)10-19-13-8-9-13/h1-7,13,19H,8-10H2
InChIKeyDFZYENNTEUMJLF-UHFFFAOYSA-N
MW336.66 g/mol
LogP5.02
Rot. Bonds4

About N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine

N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine (PubChem CID 171934626) has the molecular formula C16H15BrClN and a molecular weight of 336.66 g/mol. Its IUPAC name is N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine
PubChem CID171934626
Molecular FormulaC16H15BrClN
Molecular Weight336.66 g/mol
Exact Mass335.01
IUPAC NameN-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine
SMILESClc1c(Br)cccc1-c1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H15BrClN/c17-15-3-1-2-14(16(15)18)12-6-4-11(5-7-12)10-19-13-8-9-13/h1-7,13,19H,8-10H2
InChIKeyDFZYENNTEUMJLF-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.66
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(3-bromo-2-chlorophenyl)phenyl]-N-methylmethanamine
CID 171934623
N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 106646457
(3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol
CID 156560216
1-bromo-2-chloro-3-[4-(2-methoxyethyl)phenyl]benzene
CID 156560224
N-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine
CID 56864418
N-[(4-naphthalen-2-ylphenyl)methyl]cyclopropanamine
CID 63424074
N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride
CID 167530137
N-[[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 115568435
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 107305713
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
CID 17289669
N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 55240005

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine (CID 171934626) is N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine is Clc1c(Br)cccc1-c1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is DFZYENNTEUMJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN/c17-15-3-1-2-14(16(15)18)12-6-4-11(5-7-12)10-19-13-8-9-13/h1-7,13,19H,8-10H2.
What are the key properties of N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine?
N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 336.66 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 171934626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).