(4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol

C10H13Br2NO — CID 171213954

IUPAC(4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
SMILESN[C@H](CCCO)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H13Br2NO/c11-8-4-7(5-9(12)6-8)10(13)2-1-3-14/h4-6,10,14H,1-3,13H2/t10-/m1/s1
InChIKeyLUHYGHWPRGAFHJ-SNVBAGLBSA-N
MW323.03 g/mol
LogP2.98
Rot. Bonds4

About (4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol

(4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol (PubChem CID 171213954) has the molecular formula C10H13Br2NO and a molecular weight of 323.03 g/mol. Its IUPAC name is (4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol.

Molecular Properties

Compound Name(4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
PubChem CID171213954
Molecular FormulaC10H13Br2NO
Molecular Weight323.03 g/mol
Exact Mass320.94
IUPAC Name(4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
SMILESN[C@H](CCCO)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H13Br2NO/c11-8-4-7(5-9(12)6-8)10(13)2-1-3-14/h4-6,10,14H,1-3,13H2/t10-/m1/s1
InChIKeyLUHYGHWPRGAFHJ-SNVBAGLBSA-N
XLogP2.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.03
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171233582
3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol
CID 130002447
(1R)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
CID 171213926
(1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
CID 171233554
(1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171213951
(4R)-4-amino-4-(4-bromo-3,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171202296
(1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
CID 171213915
(1R)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
CID 171233543
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride
CID 138109776
2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride
CID 171197693
(4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride
CID 171203024

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol?
The IUPAC name of (4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol (CID 171213954) is (4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol.
What is the SMILES notation for (4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol?
The canonical SMILES for (4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol is N[C@H](CCCO)c1cc(Br)cc(Br)c1.
What is the InChIKey of (4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol?
The InChIKey is LUHYGHWPRGAFHJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13Br2NO/c11-8-4-7(5-9(12)6-8)10(13)2-1-3-14/h4-6,10,14H,1-3,13H2/t10-/m1/s1.
What are the key properties of (4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol?
(4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol has a molecular weight of 323.03 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol is sourced from PubChem (CID 171213954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).