(3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol

C11H13BrN2O — CID 97297266

IUPAC(3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
SMILESN[C@H](CCO)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H13BrN2O/c12-7-1-2-11-8(5-7)9(6-14-11)10(13)3-4-15/h1-2,5-6,10,14-15H,3-4,13H2/t10-/m1/s1
InChIKeyBVAFIOIBWMXDOY-SNVBAGLBSA-N
MW269.14 g/mol
LogP2.31
Rot. Bonds3

About (3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol

(3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol (PubChem CID 97297266) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
PubChem CID97297266
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name(3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
SMILESN[C@H](CCO)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H13BrN2O/c12-7-1-2-11-8(5-7)9(6-14-11)10(13)3-4-15/h1-2,5-6,10,14-15H,3-4,13H2/t10-/m1/s1
InChIKeyBVAFIOIBWMXDOY-SNVBAGLBSA-N
XLogP2.31
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine
CID 171225867
(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine
CID 171206282
(3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol
CID 57332046
(1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine
CID 79015819
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
CID 171225851
[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid
CID 71223546
(1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride
CID 171206288
(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine
CID 82758929
(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol
CID 131090689
(2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol
CID 10892445
(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 121221172

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol (CID 97297266) is (3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol is N[C@H](CCO)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol?
The InChIKey is BVAFIOIBWMXDOY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13BrN2O/c12-7-1-2-11-8(5-7)9(6-14-11)10(13)3-4-15/h1-2,5-6,10,14-15H,3-4,13H2/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol?
(3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol has a molecular weight of 269.14 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol is sourced from PubChem (CID 97297266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).