2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol

C15H17BrN2O — CID 105057762

IUPAC2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol
SMILESCC(CO)(Nc1cc(Br)ccc1N)c1ccccc1
InChIInChI=1S/C15H17BrN2O/c1-15(10-19,11-5-3-2-4-6-11)18-14-9-12(16)7-8-13(14)17/h2-9,18-19H,10,17H2,1H3
InChIKeyQKGNFPBTQPOIFY-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.35
Rot. Bonds4

About 2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol

2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol (PubChem CID 105057762) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol
PubChem CID105057762
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol
SMILESCC(CO)(Nc1cc(Br)ccc1N)c1ccccc1
InChIInChI=1S/C15H17BrN2O/c1-15(10-19,11-5-3-2-4-6-11)18-14-9-12(16)7-8-13(14)17/h2-9,18-19H,10,17H2,1H3
InChIKeyQKGNFPBTQPOIFY-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-bromoanilino)-2-phenylpropan-1-ol
CID 105057734
2-(4-amino-2-methylanilino)-2-phenylpropan-1-ol
CID 105057718
3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol
CID 106167096
4-bromo-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine
CID 65342502
2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol
CID 105058658
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide
CID 105058453
2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol
CID 61050433
2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol
CID 105057714
1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone
CID 105057753
2-phenyl-2-(quinolin-4-ylamino)propan-1-ol
CID 105058459
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057674

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol?
The IUPAC name of 2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol (CID 105057762) is 2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol is CC(CO)(Nc1cc(Br)ccc1N)c1ccccc1.
What is the InChIKey of 2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol?
The InChIKey is QKGNFPBTQPOIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-15(10-19,11-5-3-2-4-6-11)18-14-9-12(16)7-8-13(14)17/h2-9,18-19H,10,17H2,1H3.
What are the key properties of 2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol?
2-(2-amino-5-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-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol is sourced from PubChem (CID 105057762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).