1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol

C13H19N3O — CID 115121377

IUPAC1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
SMILESCn1cc(CNCC(O)CN)c2ccccc21
InChIInChI=1S/C13H19N3O/c1-16-9-10(7-15-8-11(17)6-14)12-4-2-3-5-13(12)16/h2-5,9,11,15,17H,6-8,14H2,1H3
InChIKeyBBFXGALWBFVUJC-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.59
Rot. Bonds5

About 1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol

1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol (PubChem CID 115121377) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
PubChem CID115121377
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
SMILESCn1cc(CNCC(O)CN)c2ccccc21
InChIInChI=1S/C13H19N3O/c1-16-9-10(7-15-8-11(17)6-14)12-4-2-3-5-13(12)16/h2-5,9,11,15,17H,6-8,14H2,1H3
InChIKeyBBFXGALWBFVUJC-UHFFFAOYSA-N
XLogP0.59
TPSA63.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252487
2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine
CID 107236106
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115153662
2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236321
4-[[(1-methylindol-3-yl)methylamino]methyl]aniline
CID 115212478
2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236179
2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 107235663
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935
2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol
CID 83977213

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol (CID 115121377) is 1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol is Cn1cc(CNCC(O)CN)c2ccccc21.
What is the InChIKey of 1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol?
The InChIKey is BBFXGALWBFVUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16-9-10(7-15-8-11(17)6-14)12-4-2-3-5-13(12)16/h2-5,9,11,15,17H,6-8,14H2,1H3.
What are the key properties of 1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol?
1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol has a molecular weight of 233.31 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 115121377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).