4-amino-1-(4-bromophenyl)butane-1,2-diol

C10H14BrNO2 — CID 171882308

IUPAC4-amino-1-(4-bromophenyl)butane-1,2-diol
SMILESNCCC(O)C(O)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO2/c11-8-3-1-7(2-4-8)10(14)9(13)5-6-12/h1-4,9-10,13-14H,5-6,12H2
InChIKeyBSAAJDRNTKFLRS-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.19
Rot. Bonds4

About 4-amino-1-(4-bromophenyl)butane-1,2-diol

4-amino-1-(4-bromophenyl)butane-1,2-diol (PubChem CID 171882308) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-amino-1-(4-bromophenyl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(4-bromophenyl)butane-1,2-diol
PubChem CID171882308
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name4-amino-1-(4-bromophenyl)butane-1,2-diol
SMILESNCCC(O)C(O)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO2/c11-8-3-1-7(2-4-8)10(14)9(13)5-6-12/h1-4,9-10,13-14H,5-6,12H2
InChIKeyBSAAJDRNTKFLRS-UHFFFAOYSA-N
XLogP1.19
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(3-bromo-4-chlorophenyl)butane-1,2-diol
CID 171882344
1-(4-bromophenyl)-3-sulfanylpropane-1,2-diol
CID 170820927
(1R,2R)-1,2-bis(4-bromophenyl)ethane-1,2-diol
CID 11046931
1-[4-(4-amino-1,2-dihydroxybutyl)phenyl]ethanone
CID 171881183
2-amino-1-[4-(4-amino-1,2-dihydroxybutyl)phenyl]ethanone
CID 171881746
4-amino-1-[4-(4-aminophenoxy)phenyl]butane-1,2-diol
CID 171882277
4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225
4-amino-1-(4-phenoxyphenyl)butane-1,2-diol
CID 171882229
2-amino-5-(4-amino-1,2-dihydroxybutyl)benzoic acid
CID 171881708
4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171880722
4-amino-1-(4-amino-3-hydroxyphenyl)butane-1,2-diol
CID 171881025
1-[4-(2-aminoethyl)phenyl]-4-bromobutane-1,2-diol
CID 171892061

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-bromophenyl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(4-bromophenyl)butane-1,2-diol (CID 171882308) is 4-amino-1-(4-bromophenyl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(4-bromophenyl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(4-bromophenyl)butane-1,2-diol is NCCC(O)C(O)c1ccc(Br)cc1.
What is the InChIKey of 4-amino-1-(4-bromophenyl)butane-1,2-diol?
The InChIKey is BSAAJDRNTKFLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c11-8-3-1-7(2-4-8)10(14)9(13)5-6-12/h1-4,9-10,13-14H,5-6,12H2.
What are the key properties of 4-amino-1-(4-bromophenyl)butane-1,2-diol?
4-amino-1-(4-bromophenyl)butane-1,2-diol has a molecular weight of 260.13 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-bromophenyl)butane-1,2-diol is sourced from PubChem (CID 171882308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).