2-amino-2-(3-bromophenyl)propan-1-ol;hydrochloride

C9H13BrClNO — CID 121347556

IUPAC2-amino-2-(3-bromophenyl)propan-1-ol;hydrochloride
SMILESCC(N)(CO)c1cccc(Br)c1.Cl
InChIInChI=1S/C9H12BrNO.ClH/c1-9(11,6-12)7-3-2-4-8(10)5-7;/h2-5,12H,6,11H2,1H3;1H
InChIKeyOOZYCGQDKCGBNU-UHFFFAOYSA-N
MW266.57 g/mol
LogP2.04
Rot. Bonds2

About 2-amino-2-(3-bromophenyl)propan-1-ol;hydrochloride

2-amino-2-(3-bromophenyl)propan-1-ol;hydrochloride (PubChem CID 121347556) has the molecular formula C9H13BrClNO and a molecular weight of 266.57 g/mol. Its IUPAC name is 2-amino-2-(3-bromophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(3-bromophenyl)propan-1-ol;hydrochloride
PubChem CID121347556
Molecular FormulaC9H13BrClNO
Molecular Weight266.57 g/mol
Exact Mass264.99
IUPAC Name2-amino-2-(3-bromophenyl)propan-1-ol;hydrochloride
SMILESCC(N)(CO)c1cccc(Br)c1.Cl
InChIInChI=1S/C9H12BrNO.ClH/c1-9(11,6-12)7-3-2-4-8(10)5-7;/h2-5,12H,6,11H2,1H3;1H
InChIKeyOOZYCGQDKCGBNU-UHFFFAOYSA-N
XLogP2.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.57
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-bromophenyl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-2-(3-bromophenyl)propan-1-ol;hydrochloride (CID 121347556) is 2-amino-2-(3-bromophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-2-(3-bromophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-2-(3-bromophenyl)propan-1-ol;hydrochloride is CC(N)(CO)c1cccc(Br)c1.Cl.
What is the InChIKey of 2-amino-2-(3-bromophenyl)propan-1-ol;hydrochloride?
The InChIKey is OOZYCGQDKCGBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO.ClH/c1-9(11,6-12)7-3-2-4-8(10)5-7;/h2-5,12H,6,11H2,1H3;1H.
What are the key properties of 2-amino-2-(3-bromophenyl)propan-1-ol;hydrochloride?
2-amino-2-(3-bromophenyl)propan-1-ol;hydrochloride has a molecular weight of 266.57 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-bromophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 121347556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).