3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine

C16H17BrClN — CID 19073662

IUPAC3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrClN/c1-11(19)16(13-4-6-14(17)7-5-13)10-12-2-8-15(18)9-3-12/h2-9,11,16H,10,19H2,1H3
InChIKeyNTQBYTDTFKLHRW-UHFFFAOYSA-N
MW338.68 g/mol
LogP4.78
Rot. Bonds4

About 3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine

3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine (PubChem CID 19073662) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine
PubChem CID19073662
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrClN/c1-11(19)16(13-4-6-14(17)7-5-13)10-12-2-8-15(18)9-3-12/h2-9,11,16H,10,19H2,1H3
InChIKeyNTQBYTDTFKLHRW-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.68
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine
CID 19073696
(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride
CID 23404723
3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine
CID 22270641
4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine
CID 19073683
(3R)-2-(4-bromophenyl)-1-(4-chlorophenyl)hex-5-en-3-ol
CID 122634711
1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene
CID 79434869
(3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal
CID 122634703
3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine
CID 19073588
(4R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal
CID 145170937
1-bromo-4-[(2R)-1-(4-chlorophenyl)-3-ethoxyhex-5-en-2-yl]benzene
CID 145171014
4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine
CID 19073641
1-(4-chlorophenyl)propan-2-amine
CID 3127

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine?
The IUPAC name of 3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine (CID 19073662) is 3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine.
What is the SMILES notation for 3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine?
The canonical SMILES for 3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine is CC(N)C(Cc1ccc(Cl)cc1)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine?
The InChIKey is NTQBYTDTFKLHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-11(19)16(13-4-6-14(17)7-5-13)10-12-2-8-15(18)9-3-12/h2-9,11,16H,10,19H2,1H3.
What are the key properties of 3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine?
3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine has a molecular weight of 338.68 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine is sourced from PubChem (CID 19073662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).