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

C14H13BrClN — CID 60820505

IUPAC2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
SMILESNC(Cc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13BrClN/c15-12-3-1-2-10(8-12)9-14(17)11-4-6-13(16)7-5-11/h1-8,14H,9,17H2
InChIKeyGDHAYUYOPLNDSN-UHFFFAOYSA-N
MW310.62 g/mol
LogP4.34
Rot. Bonds3

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

2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine (PubChem CID 60820505) has the molecular formula C14H13BrClN and a molecular weight of 310.62 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
PubChem CID60820505
Molecular FormulaC14H13BrClN
Molecular Weight310.62 g/mol
Exact Mass308.99
IUPAC Name2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
SMILESNC(Cc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13BrClN/c15-12-3-1-2-10(8-12)9-14(17)11-4-6-13(16)7-5-11/h1-8,14H,9,17H2
InChIKeyGDHAYUYOPLNDSN-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-(3,5-dichlorophenyl)ethanamine
CID 55225085
2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321
1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine
CID 60819329
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005
1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43184847
2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
CID 60798720
2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63412142
1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine
CID 115354107
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106687863
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine (CID 60820505) is 2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine is NC(Cc1cccc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine?
The InChIKey is GDHAYUYOPLNDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN/c15-12-3-1-2-10(8-12)9-14(17)11-4-6-13(16)7-5-11/h1-8,14H,9,17H2.
What are the key properties of 2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine?
2-(3-bromophenyl)-1-(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 2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 60820505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).