3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol

C15H16BrNO — CID 82094931

IUPAC3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol
SMILESNCC(O)C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO/c16-13-8-6-12(7-9-13)15(14(18)10-17)11-4-2-1-3-5-11/h1-9,14-15,18H,10,17H2
InChIKeyQGONOGOGHNEIIZ-UHFFFAOYSA-N
MW306.20 g/mol
LogP2.90
Rot. Bonds4

About 3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol

3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol (PubChem CID 82094931) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol
PubChem CID82094931
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol
SMILESNCC(O)C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO/c16-13-8-6-12(7-9-13)15(14(18)10-17)11-4-2-1-3-5-11/h1-9,14-15,18H,10,17H2
InChIKeyQGONOGOGHNEIIZ-UHFFFAOYSA-N
XLogP2.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol
CID 82090652
(S)-(4-bromophenyl)-phenylmethanol
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CID 20572924
1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
CID 5083697
(S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium
CID 10873031
(2S)-1,1-diphenylpent-4-en-2-ol
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3-(4-bromophenyl)-2-phenylpropan-1-amine
CID 65429656
2-benzhydryl-3,3-diphenylpropan-1-amine
CID 139723407
4-amino-1-(4-bromophenyl)butane-1,2-diol
CID 171882308
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
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CID 11781172
1-bromo-4-[(2S,3R)-1,3-dichloro-2,3-diphenylpropyl]benzene
CID 11611484

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol?
The IUPAC name of 3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol (CID 82094931) is 3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol.
What is the SMILES notation for 3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol?
The canonical SMILES for 3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol is NCC(O)C(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol?
The InChIKey is QGONOGOGHNEIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c16-13-8-6-12(7-9-13)15(14(18)10-17)11-4-2-1-3-5-11/h1-9,14-15,18H,10,17H2.
What are the key properties of 3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol?
3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol has a molecular weight of 306.20 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol is sourced from PubChem (CID 82094931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).