4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline

C15H15BrClN — CID 55200364

IUPAC4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline
SMILESCC(Cc1ccccc1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C15H15BrClN/c1-11(9-12-5-3-2-4-6-12)18-15-8-7-13(16)10-14(15)17/h2-8,10-11,18H,9H2,1H3
InChIKeyOVWUZYRLVYRAKM-UHFFFAOYSA-N
MW324.65 g/mol
LogP5.15
Rot. Bonds4

About 4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline

4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline (PubChem CID 55200364) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline
PubChem CID55200364
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline
SMILESCC(Cc1ccccc1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C15H15BrClN/c1-11(9-12-5-3-2-4-6-12)18-15-8-7-13(16)10-14(15)17/h2-8,10-11,18H,9H2,1H3
InChIKeyOVWUZYRLVYRAKM-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.65
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 43236856
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2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline
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N-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide
CID 107022287
3-bromo-4-(1-phenylpropan-2-ylamino)benzonitrile
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4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline
CID 107582127
2-[1-(4-bromo-2-chloroanilino)ethyl]benzene-1,3-diol
CID 107710545
3-(4-bromo-2-chloroanilino)-2-methylbutanoic acid
CID 79392052
5-chloro-2-(1-phenylpropan-2-ylamino)benzenecarbothioamide
CID 63010770
N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline
CID 55200343
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CID 43347291

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline?
The IUPAC name of 4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline (CID 55200364) is 4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline.
What is the SMILES notation for 4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline?
The canonical SMILES for 4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline is CC(Cc1ccccc1)Nc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline?
The InChIKey is OVWUZYRLVYRAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-11(9-12-5-3-2-4-6-12)18-15-8-7-13(16)10-14(15)17/h2-8,10-11,18H,9H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline?
4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline has a molecular weight of 324.65 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline is sourced from PubChem (CID 55200364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).