3-amino-3-(3-bromophenyl)propan-1-ol

C9H12BrNO — CID 44891234

IUPAC3-amino-3-(3-bromophenyl)propan-1-ol
SMILESNC(CCO)c1cccc(Br)c1
InChIInChI=1S/C9H12BrNO/c10-8-3-1-2-7(6-8)9(11)4-5-12/h1-3,6,9,12H,4-5,11H2
InChIKeyITAZYIGUHYEVEU-UHFFFAOYSA-N
MW230.10 g/mol
LogP1.83
Rot. Bonds3

About 3-amino-3-(3-bromophenyl)propan-1-ol

3-amino-3-(3-bromophenyl)propan-1-ol (PubChem CID 44891234) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 3-amino-3-(3-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3-bromophenyl)propan-1-ol
PubChem CID44891234
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name3-amino-3-(3-bromophenyl)propan-1-ol
SMILESNC(CCO)c1cccc(Br)c1
InChIInChI=1S/C9H12BrNO/c10-8-3-1-2-7(6-8)9(11)4-5-12/h1-3,6,9,12H,4-5,11H2
InChIKeyITAZYIGUHYEVEU-UHFFFAOYSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-bromophenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(3-bromophenyl)propan-1-ol (CID 44891234) is 3-amino-3-(3-bromophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(3-bromophenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(3-bromophenyl)propan-1-ol is NC(CCO)c1cccc(Br)c1.
What is the InChIKey of 3-amino-3-(3-bromophenyl)propan-1-ol?
The InChIKey is ITAZYIGUHYEVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c10-8-3-1-2-7(6-8)9(11)4-5-12/h1-3,6,9,12H,4-5,11H2.
What are the key properties of 3-amino-3-(3-bromophenyl)propan-1-ol?
3-amino-3-(3-bromophenyl)propan-1-ol has a molecular weight of 230.10 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-bromophenyl)propan-1-ol is sourced from PubChem (CID 44891234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).