N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine

C15H15BrClN — CID 66161236

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine
SMILESClc1ccc(Br)c(CNCCc2ccccc2)c1
InChIInChI=1S/C15H15BrClN/c16-15-7-6-14(17)10-13(15)11-18-9-8-12-4-2-1-3-5-12/h1-7,10,18H,8-9,11H2
InChIKeyYNUSSUJPCCFAKT-UHFFFAOYSA-N
MW324.65 g/mol
LogP4.43
Rot. Bonds5

About N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine

N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine (PubChem CID 66161236) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine
PubChem CID66161236
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine
SMILESClc1ccc(Br)c(CNCCc2ccccc2)c1
InChIInChI=1S/C15H15BrClN/c16-15-7-6-14(17)10-13(15)11-18-9-8-12-4-2-1-3-5-12/h1-7,10,18H,8-9,11H2
InChIKeyYNUSSUJPCCFAKT-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.65
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromo-5-chlorophenyl)methyl]-2-thiophen-3-ylethanamine
CID 66159781
N-[(2-bromo-5-chlorophenyl)methyl]-2-(5-chlorothiophen-2-yl)ethanamine
CID 114139873
N-[(2-bromo-5-chlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115732926
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine
CID 30053289
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-phenylethanamine
CID 66534264
N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine
CID 54806960
N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071
2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 39380174
N-[(2-bromo-5-chlorophenyl)methyl]-2-methylsulfinylethanamine
CID 115660120
N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine
CID 66159083
N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
CID 66158776

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine (CID 66161236) is N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine is Clc1ccc(Br)c(CNCCc2ccccc2)c1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine?
The InChIKey is YNUSSUJPCCFAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c16-15-7-6-14(17)10-13(15)11-18-9-8-12-4-2-1-3-5-12/h1-7,10,18H,8-9,11H2.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine?
N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine has a molecular weight of 324.65 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine is sourced from PubChem (CID 66161236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).