3-(4-bromophenyl)-2,2-dimethylpropan-1-amine

C11H16BrN — CID 56687188

IUPAC3-(4-bromophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)Cc1ccc(Br)cc1
InChIInChI=1S/C11H16BrN/c1-11(2,8-13)7-9-3-5-10(12)6-4-9/h3-6H,7-8,13H2,1-2H3
InChIKeyCVQMNSWPZJUWKL-UHFFFAOYSA-N
MW242.16 g/mol
LogP2.98
Rot. Bonds3

About 3-(4-bromophenyl)-2,2-dimethylpropan-1-amine

3-(4-bromophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 56687188) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-2,2-dimethylpropan-1-amine
PubChem CID56687188
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name3-(4-bromophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)Cc1ccc(Br)cc1
InChIInChI=1S/C11H16BrN/c1-11(2,8-13)7-9-3-5-10(12)6-4-9/h3-6H,7-8,13H2,1-2H3
InChIKeyCVQMNSWPZJUWKL-UHFFFAOYSA-N
XLogP2.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene
CID 174478288
4-(3-amino-2,2-dimethylpropyl)-N,N-dimethylaniline
CID 82111054
2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62740976
2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 95443580
3-(aminomethyl)-4-(4-bromophenyl)-3-methylbutan-2-ol
CID 65393001
2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine
CID 95464223
3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine
CID 116991904
3-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739590
4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline
CID 154634123
4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine
CID 84729556
3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine
CID 116898418
2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine
CID 116924796

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-2,2-dimethylpropan-1-amine (CID 56687188) is 3-(4-bromophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-2,2-dimethylpropan-1-amine is CC(C)(CN)Cc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is CVQMNSWPZJUWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-11(2,8-13)7-9-3-5-10(12)6-4-9/h3-6H,7-8,13H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-2,2-dimethylpropan-1-amine?
3-(4-bromophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 242.16 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 56687188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).