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

C9H13BrN2O — CID 130041605

IUPAC2-amino-2-(3-amino-4-bromophenyl)propan-1-ol
SMILESCC(N)(CO)c1ccc(Br)c(N)c1
InChIInChI=1S/C9H13BrN2O/c1-9(12,5-13)6-2-3-7(10)8(11)4-6/h2-4,13H,5,11-12H2,1H3
InChIKeyHHMSSVSFCGXGNC-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.20
Rot. Bonds2

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

2-amino-2-(3-amino-4-bromophenyl)propan-1-ol (PubChem CID 130041605) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-amino-2-(3-amino-4-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-(3-amino-4-bromophenyl)propan-1-ol
PubChem CID130041605
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name2-amino-2-(3-amino-4-bromophenyl)propan-1-ol
SMILESCC(N)(CO)c1ccc(Br)c(N)c1
InChIInChI=1S/C9H13BrN2O/c1-9(12,5-13)6-2-3-7(10)8(11)4-6/h2-4,13H,5,11-12H2,1H3
InChIKeyHHMSSVSFCGXGNC-UHFFFAOYSA-N
XLogP1.20
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.20
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-(3-amino-4-bromophenyl)-2-methylpropan-1-ol
CID 117113672
(2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol
CID 130721867
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
3-amino-3-(4-bromo-3-iodophenyl)butan-1-ol
CID 130041409
(2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol
CID 131218128
(2S)-2-amino-2-(4-amino-3-bromo-5-chlorophenyl)propan-1-ol
CID 130611672
2-(3,4-diaminophenyl)-2-methylpropan-1-ol
CID 144721361
(3S)-3-amino-3-(3-bromo-4-chlorophenyl)butan-1-ol
CID 131215490
(2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
CID 55271791
2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol
CID 117359057
(2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93471595
(2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol
CID 130627760

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-amino-4-bromophenyl)propan-1-ol?
The IUPAC name of 2-amino-2-(3-amino-4-bromophenyl)propan-1-ol (CID 130041605) is 2-amino-2-(3-amino-4-bromophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-2-(3-amino-4-bromophenyl)propan-1-ol?
The canonical SMILES for 2-amino-2-(3-amino-4-bromophenyl)propan-1-ol is CC(N)(CO)c1ccc(Br)c(N)c1.
What is the InChIKey of 2-amino-2-(3-amino-4-bromophenyl)propan-1-ol?
The InChIKey is HHMSSVSFCGXGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-9(12,5-13)6-2-3-7(10)8(11)4-6/h2-4,13H,5,11-12H2,1H3.
What are the key properties of 2-amino-2-(3-amino-4-bromophenyl)propan-1-ol?
2-amino-2-(3-amino-4-bromophenyl)propan-1-ol has a molecular weight of 245.12 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-amino-4-bromophenyl)propan-1-ol is sourced from PubChem (CID 130041605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).