N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine

C15H15BrClN — CID 43489055

IUPACN-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H15BrClN/c1-2-18-15(11-6-4-3-5-7-11)13-10-12(16)8-9-14(13)17/h3-10,15,18H,2H2,1H3
InChIKeyMUKQFLGPPJVXIT-UHFFFAOYSA-N
MW324.65 g/mol
LogP4.80
Rot. Bonds4

About N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine

N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine (PubChem CID 43489055) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine
PubChem CID43489055
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC NameN-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H15BrClN/c1-2-18-15(11-6-4-3-5-7-11)13-10-12(16)8-9-14(13)17/h3-10,15,18H,2H2,1H3
InChIKeyMUKQFLGPPJVXIT-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.65
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-chlorophenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625398
N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492925
N-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851389
N-[(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine
CID 43487727
N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine
CID 115484059
N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 107974842
N-[(5-bromo-2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878329
N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 107944930
N-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63413138
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
CID 43489085
N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492861
N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
CID 107998622

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine (CID 43489055) is N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1cc(Br)ccc1Cl.
What is the InChIKey of N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine?
The InChIKey is MUKQFLGPPJVXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-2-18-15(11-6-4-3-5-7-11)13-10-12(16)8-9-14(13)17/h3-10,15,18H,2H2,1H3.
What are the key properties of N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine?
N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine has a molecular weight of 324.65 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine is sourced from PubChem (CID 43489055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).