1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine

C14H13BrClN — CID 171791268

IUPAC1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine
SMILESCC(N)c1cc(Br)cc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C14H13BrClN/c1-9(17)11-5-12(7-13(15)6-11)10-3-2-4-14(16)8-10/h2-9H,17H2,1H3
InChIKeyMLQWCVCLWZPRIL-UHFFFAOYSA-N
MW310.62 g/mol
LogP4.79
Rot. Bonds2

About 1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine

1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine (PubChem CID 171791268) has the molecular formula C14H13BrClN and a molecular weight of 310.62 g/mol. Its IUPAC name is 1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine
PubChem CID171791268
Molecular FormulaC14H13BrClN
Molecular Weight310.62 g/mol
Exact Mass308.99
IUPAC Name1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine
SMILESCC(N)c1cc(Br)cc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C14H13BrClN/c1-9(17)11-5-12(7-13(15)6-11)10-3-2-4-14(16)8-10/h2-9H,17H2,1H3
InChIKeyMLQWCVCLWZPRIL-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.62
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(3-chlorophenyl)phenyl]ethanamine
CID 43826632
N-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 171791304
1-(3,5-dibromophenyl)ethanamine
CID 23147757
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride
CID 171233549
1-[3-(3,5-difluorophenyl)phenyl]ethanamine
CID 54911738
(3S)-3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 135366038
3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 135366041
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
1-[3-(4-fluorophenyl)phenyl]ethanamine
CID 61026318
3-(3-chlorophenyl)-5-(difluoromethyl)aniline
CID 171394038
1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride
CID 137347003

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine?
The IUPAC name of 1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine (CID 171791268) is 1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine?
The canonical SMILES for 1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine is CC(N)c1cc(Br)cc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine?
The InChIKey is MLQWCVCLWZPRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN/c1-9(17)11-5-12(7-13(15)6-11)10-3-2-4-14(16)8-10/h2-9H,17H2,1H3.
What are the key properties of 1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine?
1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine has a molecular weight of 310.62 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine is sourced from PubChem (CID 171791268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).