2-(3-bromoanilino)-2-methylpropan-1-ol

C10H14BrNO — CID 61048662

IUPAC2-(3-bromoanilino)-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1cccc(Br)c1
InChIInChI=1S/C10H14BrNO/c1-10(2,7-13)12-9-5-3-4-8(11)6-9/h3-6,12-13H,7H2,1-2H3
InChIKeyOCBHXZSZHVHZRY-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.63
Rot. Bonds3

About 2-(3-bromoanilino)-2-methylpropan-1-ol

2-(3-bromoanilino)-2-methylpropan-1-ol (PubChem CID 61048662) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-methylpropan-1-ol
PubChem CID61048662
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-(3-bromoanilino)-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1cccc(Br)c1
InChIInChI=1S/C10H14BrNO/c1-10(2,7-13)12-9-5-3-4-8(11)6-9/h3-6,12-13H,7H2,1-2H3
InChIKeyOCBHXZSZHVHZRY-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-2-methylpentan-1-ol
CID 61047859
2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile
CID 130509135
2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol
CID 61048061
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
CID 61048867
2-(3-bromoanilino)-2-methylnonan-1-ol
CID 55198657
2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol
CID 4715466
2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol
CID 61048068
N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide
CID 113293844
methyl 2-(3-bromoanilino)-4-methoxy-2,4-dimethylpentanoate
CID 60993424
2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid
CID 60993850
3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
CID 28902642

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-bromoanilino)-2-methylpropan-1-ol (CID 61048662) is 2-(3-bromoanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-bromoanilino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-bromoanilino)-2-methylpropan-1-ol is CC(C)(CO)Nc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromoanilino)-2-methylpropan-1-ol?
The InChIKey is OCBHXZSZHVHZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-10(2,7-13)12-9-5-3-4-8(11)6-9/h3-6,12-13H,7H2,1-2H3.
What are the key properties of 2-(3-bromoanilino)-2-methylpropan-1-ol?
2-(3-bromoanilino)-2-methylpropan-1-ol has a molecular weight of 244.13 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 61048662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).