2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol

C15H17BrN2O — CID 105057734

IUPAC2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol
SMILESCC(CO)(Nc1ccc(N)cc1Br)c1ccccc1
InChIInChI=1S/C15H17BrN2O/c1-15(10-19,11-5-3-2-4-6-11)18-14-8-7-12(17)9-13(14)16/h2-9,18-19H,10,17H2,1H3
InChIKeyQNPXKCWVLJYMJG-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.35
Rot. Bonds4

About 2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol

2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol (PubChem CID 105057734) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol
PubChem CID105057734
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol
SMILESCC(CO)(Nc1ccc(N)cc1Br)c1ccccc1
InChIInChI=1S/C15H17BrN2O/c1-15(10-19,11-5-3-2-4-6-11)18-14-8-7-12(17)9-13(14)16/h2-9,18-19H,10,17H2,1H3
InChIKeyQNPXKCWVLJYMJG-UHFFFAOYSA-N
XLogP3.35
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-2-methylanilino)-2-phenylpropan-1-ol
CID 105057718
2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol
CID 105057762
2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol
CID 61050433
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide
CID 105058453
2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol
CID 105057714
5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide
CID 105057681
2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol
CID 105058658
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol
CID 62914828
3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057674
2-[(6-amino-2-methylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105060904
2-(2-bromoanilino)-2-(2,5-dichlorophenyl)propan-1-ol
CID 63428524

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol?
The IUPAC name of 2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol (CID 105057734) is 2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol is CC(CO)(Nc1ccc(N)cc1Br)c1ccccc1.
What is the InChIKey of 2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol?
The InChIKey is QNPXKCWVLJYMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-15(10-19,11-5-3-2-4-6-11)18-14-8-7-12(17)9-13(14)16/h2-9,18-19H,10,17H2,1H3.
What are the key properties of 2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol?
2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol has a molecular weight of 321.22 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol is sourced from PubChem (CID 105057734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).