(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol

C11H14N2O — CID 94841904

IUPAC(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
SMILESC[C@H](N)[C@H](O)c1cccc2[nH]ccc12
InChIInChI=1S/C11H14N2O/c1-7(12)11(14)9-3-2-4-10-8(9)5-6-13-10/h2-7,11,13-14H,12H2,1H3/t7-,11-/m0/s1
InChIKeyKFPZNKCSNXCEOY-CPCISQLKSA-N
MW190.25 g/mol
LogP1.55
Rot. Bonds2

About (1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol

(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol (PubChem CID 94841904) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
PubChem CID94841904
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
SMILESC[C@H](N)[C@H](O)c1cccc2[nH]ccc12
InChIInChI=1S/C11H14N2O/c1-7(12)11(14)9-3-2-4-10-8(9)5-6-13-10/h2-7,11,13-14H,12H2,1H3/t7-,11-/m0/s1
InChIKeyKFPZNKCSNXCEOY-CPCISQLKSA-N
XLogP1.55
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
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

(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol
CID 114200544
2-ethyl-1-(1H-indol-4-yl)butan-1-ol
CID 115351832
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
1-amino-1-(1H-indol-4-yl)propan-2-one
CID 55270275
(1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262561
3,4-dihydroxy-4-(1H-indol-4-yl)butanamide
CID 171899347
(2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol
CID 171262562
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol
CID 171268223
(4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol
CID 171205537
(1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride
CID 171262567

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol?
The IUPAC name of (1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol (CID 94841904) is (1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol.
What is the SMILES notation for (1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol?
The canonical SMILES for (1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol is C[C@H](N)[C@H](O)c1cccc2[nH]ccc12.
What is the InChIKey of (1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol?
The InChIKey is KFPZNKCSNXCEOY-CPCISQLKSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7(12)11(14)9-3-2-4-10-8(9)5-6-13-10/h2-7,11,13-14H,12H2,1H3/t7-,11-/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol?
(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol has a molecular weight of 190.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol is sourced from PubChem (CID 94841904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).