2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol

C12H17N3O — CID 115120563

IUPAC2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol
SMILESNC(CO)CNCc1c[nH]c2ccccc12
InChIInChI=1S/C12H17N3O/c13-10(8-16)7-14-5-9-6-15-12-4-2-1-3-11(9)12/h1-4,6,10,14-16H,5,7-8,13H2
InChIKeyFLEGBJBSSNEHSY-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.58
Rot. Bonds5

About 2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol

2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol (PubChem CID 115120563) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol
PubChem CID115120563
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol
SMILESNC(CO)CNCc1c[nH]c2ccccc12
InChIInChI=1S/C12H17N3O/c13-10(8-16)7-14-5-9-6-15-12-4-2-1-3-11(9)12/h1-4,6,10,14-16H,5,7-8,13H2
InChIKeyFLEGBJBSSNEHSY-UHFFFAOYSA-N
XLogP0.58
TPSA74.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol
CID 115121376
(1H-indol-3-ylmethylamino)methanol
CID 115228988
1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol
CID 63295277
3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol
CID 106284510
(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
CID 114985544
3-(1H-indol-3-ylmethylamino)-2-methylpropanenitrile
CID 62646036
2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol
CID 115121040
1-N-(1H-indol-3-ylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 55024666
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
N-(1H-indol-3-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 61034726
4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol
CID 106143200
3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine
CID 115215625

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol?
The IUPAC name of 2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol (CID 115120563) is 2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol?
The canonical SMILES for 2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol is NC(CO)CNCc1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol?
The InChIKey is FLEGBJBSSNEHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-10(8-16)7-14-5-9-6-15-12-4-2-1-3-11(9)12/h1-4,6,10,14-16H,5,7-8,13H2.
What are the key properties of 2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol?
2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol has a molecular weight of 219.29 g/mol, XLogP of 0.58, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol is sourced from PubChem (CID 115120563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).