3-(4-bromoanilino)-2,2-dimethylpropan-1-ol

C11H16BrNO — CID 81414174

IUPAC3-(4-bromoanilino)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-11(2,8-14)7-13-10-5-3-9(12)4-6-10/h3-6,13-14H,7-8H2,1-2H3
InChIKeySVDWQWOFOOGDJN-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.88
Rot. Bonds4

About 3-(4-bromoanilino)-2,2-dimethylpropan-1-ol

3-(4-bromoanilino)-2,2-dimethylpropan-1-ol (PubChem CID 81414174) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-(4-bromoanilino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(4-bromoanilino)-2,2-dimethylpropan-1-ol
PubChem CID81414174
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-(4-bromoanilino)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-11(2,8-14)7-13-10-5-3-9(12)4-6-10/h3-6,13-14H,7-8H2,1-2H3
InChIKeySVDWQWOFOOGDJN-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 81411268
2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol
CID 81411598
3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
CID 81411129
3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol
CID 115135576
3-[4-(diethylamino)anilino]-2,2-dimethylpropan-1-ol
CID 81414604
3-(4-bromo-3,5-dimethylanilino)-2,2-dimethylpropan-1-ol
CID 107571895
4-bromo-N-(2-methoxy-2-methylpropyl)aniline
CID 130906263
3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414519
3-[4-(difluoromethylsulfanyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414271
3-(4-bromo-3-nitroanilino)-2,2-dimethylpropan-1-ol
CID 81410959
3-[2-(4-bromophenoxy)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293890
2,2-dimethyl-3-[4-(1H-pyrazol-5-yl)anilino]propan-1-ol
CID 81412237

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(4-bromoanilino)-2,2-dimethylpropan-1-ol (CID 81414174) is 3-(4-bromoanilino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(4-bromoanilino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(4-bromoanilino)-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromoanilino)-2,2-dimethylpropan-1-ol?
The InChIKey is SVDWQWOFOOGDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-11(2,8-14)7-13-10-5-3-9(12)4-6-10/h3-6,13-14H,7-8H2,1-2H3.
What are the key properties of 3-(4-bromoanilino)-2,2-dimethylpropan-1-ol?
3-(4-bromoanilino)-2,2-dimethylpropan-1-ol has a molecular weight of 258.16 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81414174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).