1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine

C14H13BrClN — CID 60819329

IUPAC1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrClN/c15-12-3-1-2-11(9-12)14(17)8-10-4-6-13(16)7-5-10/h1-7,9,14H,8,17H2
InChIKeyQKPPDOHIBPJHAY-UHFFFAOYSA-N
MW310.62 g/mol
LogP4.34
Rot. Bonds3

About 1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine

1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine (PubChem CID 60819329) has the molecular formula C14H13BrClN and a molecular weight of 310.62 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine
PubChem CID60819329
Molecular FormulaC14H13BrClN
Molecular Weight310.62 g/mol
Exact Mass308.99
IUPAC Name1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrClN/c15-12-3-1-2-11(9-12)14(17)8-10-4-6-13(16)7-5-10/h1-7,9,14H,8,17H2
InChIKeyQKPPDOHIBPJHAY-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.62
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
CID 60820505
2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine
CID 54941560
[1-(3-bromophenyl)-2-(4-chlorophenyl)ethyl]hydrazine
CID 105198151
2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 55225085
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143
2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052629
1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine
CID 81472195
1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107308364
3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-one
CID 11473183
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55026181
2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine?
The IUPAC name of 1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine (CID 60819329) is 1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine is NC(Cc1ccc(Cl)cc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine?
The InChIKey is QKPPDOHIBPJHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN/c15-12-3-1-2-11(9-12)14(17)8-10-4-6-13(16)7-5-10/h1-7,9,14H,8,17H2.
What are the key properties of 1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine?
1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine has a molecular weight of 310.62 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 60819329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).