3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline

C16H18BrN — CID 107582127

IUPAC3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline
SMILESCc1cc(Br)cc(NC(C)Cc2ccccc2)c1
InChIInChI=1S/C16H18BrN/c1-12-8-15(17)11-16(9-12)18-13(2)10-14-6-4-3-5-7-14/h3-9,11,13,18H,10H2,1-2H3
InChIKeyQJLBIBGUVWCHJI-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.80
Rot. Bonds4

About 3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline

3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline (PubChem CID 107582127) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline
PubChem CID107582127
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline
SMILESCc1cc(Br)cc(NC(C)Cc2ccccc2)c1
InChIInChI=1S/C16H18BrN/c1-12-8-15(17)11-16(9-12)18-13(2)10-14-6-4-3-5-7-14/h3-9,11,13,18H,10H2,1-2H3
InChIKeyQJLBIBGUVWCHJI-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline
CID 107582160
2,6-dimethyl-N-(1-phenylpropan-2-yl)pyridin-4-amine
CID 114272175
3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methoxyaniline
CID 114830578
4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline
CID 55200364
3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 107582351
3-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzene-1,3-diamine
CID 112647737
4,6-dimethyl-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 63011106
N-(1-phenylpropan-2-yl)thiophen-3-amine
CID 66351654
N-[1-(4-chlorophenyl)propan-2-yl]-3-methylaniline
CID 114081193
methyl 3-(3-bromo-5-methylanilino)butanoate
CID 104938397
(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene
CID 174875624
1-N-methyl-5-nitro-3-N-(1-phenylpropan-2-yl)benzene-1,3-diamine
CID 80810374

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline?
The IUPAC name of 3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline (CID 107582127) is 3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline.
What is the SMILES notation for 3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline?
The canonical SMILES for 3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline is Cc1cc(Br)cc(NC(C)Cc2ccccc2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline?
The InChIKey is QJLBIBGUVWCHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-12-8-15(17)11-16(9-12)18-13(2)10-14-6-4-3-5-7-14/h3-9,11,13,18H,10H2,1-2H3.
What are the key properties of 3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline?
3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline has a molecular weight of 304.23 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline is sourced from PubChem (CID 107582127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).