1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C13H20BrNO2 — CID 60896653

IUPAC1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CNc1ccccc1Br
InChIInChI=1S/C13H20BrNO2/c1-13(2,3)17-9-10(16)8-15-12-7-5-4-6-11(12)14/h4-7,10,15-16H,8-9H2,1-3H3
InChIKeyRBDKLZPUANTQDW-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.04
Rot. Bonds5

About 1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 60896653) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID60896653
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CNc1ccccc1Br
InChIInChI=1S/C13H20BrNO2/c1-13(2,3)17-9-10(16)8-15-12-7-5-4-6-11(12)14/h4-7,10,15-16H,8-9H2,1-3H3
InChIKeyRBDKLZPUANTQDW-UHFFFAOYSA-N
XLogP3.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-chloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81271117
1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60900433
1-(5-bromo-4-fluoro-2-methylanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 107591853
1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 60897419
1-[(2-methyl-2-phenylpropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60987900
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 8741564
1-(2-chloroanilino)-3-methoxypropan-2-ol
CID 63929228
1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 79101281
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81407338
1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol
CID 60634058
1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60896835
1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 63036846

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 60896653) is 1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)(C)OCC(O)CNc1ccccc1Br.
What is the InChIKey of 1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is RBDKLZPUANTQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-13(2,3)17-9-10(16)8-15-12-7-5-4-6-11(12)14/h4-7,10,15-16H,8-9H2,1-3H3.
What are the key properties of 1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 302.21 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 60896653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).