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

C11H14N2O — CID 96590440

IUPAC(1R)-3-amino-1-(1H-indol-5-yl)propan-1-ol
SMILESNCC[C@@H](O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C11H14N2O/c12-5-3-11(14)9-1-2-10-8(7-9)4-6-13-10/h1-2,4,6-7,11,13-14H,3,5,12H2/t11-/m1/s1
InChIKeySLJRQUUTDBLYOV-LLVKDONJSA-N
MW190.25 g/mol
LogP1.55
Rot. Bonds3

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

(1R)-3-amino-1-(1H-indol-5-yl)propan-1-ol (PubChem CID 96590440) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (1R)-3-amino-1-(1H-indol-5-yl)propan-1-ol.

Molecular Properties

Compound Name(1R)-3-amino-1-(1H-indol-5-yl)propan-1-ol
PubChem CID96590440
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(1R)-3-amino-1-(1H-indol-5-yl)propan-1-ol
SMILESNCC[C@@H](O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C11H14N2O/c12-5-3-11(14)9-1-2-10-8(7-9)4-6-13-10/h1-2,4,6-7,11,13-14H,3,5,12H2/t11-/m1/s1
InChIKeySLJRQUUTDBLYOV-LLVKDONJSA-N
XLogP1.55
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-5-yl)heptan-1-ol
CID 81444731
(1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride
CID 171205545
3-amino-3-(1H-indol-5-yl)propan-1-ol
CID 55273219
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
(4-fluorophenyl)-(1H-indol-5-yl)methanol
CID 81444818
1H-indol-5-yl(phenyl)methanol
CID 19042833
1-(1H-indol-6-yl)propane-1,3-diamine
CID 131197541
1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol
CID 81444552
5-propan-2-yl-1H-indole
CID 10558918
(3-fluoro-4-methylphenyl)-(1H-indol-5-yl)methanol
CID 81444351
2-(1H-indol-5-yl)propanamide
CID 140559721
3-(1H-indol-6-yl)butan-1-amine
CID 82602760

Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-1-(1H-indol-5-yl)propan-1-ol?
The IUPAC name of (1R)-3-amino-1-(1H-indol-5-yl)propan-1-ol (CID 96590440) is (1R)-3-amino-1-(1H-indol-5-yl)propan-1-ol.
What is the SMILES notation for (1R)-3-amino-1-(1H-indol-5-yl)propan-1-ol?
The canonical SMILES for (1R)-3-amino-1-(1H-indol-5-yl)propan-1-ol is NCC[C@@H](O)c1ccc2[nH]ccc2c1.
What is the InChIKey of (1R)-3-amino-1-(1H-indol-5-yl)propan-1-ol?
The InChIKey is SLJRQUUTDBLYOV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14N2O/c12-5-3-11(14)9-1-2-10-8(7-9)4-6-13-10/h1-2,4,6-7,11,13-14H,3,5,12H2/t11-/m1/s1.
What are the key properties of (1R)-3-amino-1-(1H-indol-5-yl)propan-1-ol?
(1R)-3-amino-1-(1H-indol-5-yl)propan-1-ol has a molecular weight of 190.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-1-(1H-indol-5-yl)propan-1-ol is sourced from PubChem (CID 96590440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).