2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol

C16H24N2O — CID 102916132

IUPAC2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol
SMILESCC(CO)Cn1ccc2cc(CNC(C)C)ccc21
InChIInChI=1S/C16H24N2O/c1-12(2)17-9-14-4-5-16-15(8-14)6-7-18(16)10-13(3)11-19/h4-8,12-13,17,19H,9-11H2,1-3H3
InChIKeyZBHWNRLBVHBLGH-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.77
Rot. Bonds6

About 2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol

2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol (PubChem CID 102916132) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol
PubChem CID102916132
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol
SMILESCC(CO)Cn1ccc2cc(CNC(C)C)ccc21
InChIInChI=1S/C16H24N2O/c1-12(2)17-9-14-4-5-16-15(8-14)6-7-18(16)10-13(3)11-19/h4-8,12-13,17,19H,9-11H2,1-3H3
InChIKeyZBHWNRLBVHBLGH-UHFFFAOYSA-N
XLogP2.77
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-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

3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol
CID 102912449
2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol
CID 102916325
N-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine
CID 102916071
3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102915922
(2S)-3-indol-1-yl-2-methylpropan-1-ol
CID 139469635
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine
CID 102916137
N-[[1-(2-ethylbutyl)indol-5-yl]methyl]ethanamine
CID 82925492
2-[1-[[5-[(propan-2-ylamino)methyl]indol-1-yl]methyl]cyclopropyl]acetonitrile
CID 102916065
N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 102916880
2-[5-(ethylaminomethyl)indol-1-yl]ethanol
CID 102915827
2-[1-(2-methylpropyl)indol-5-yl]acetic acid
CID 115106854
2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide
CID 102916244

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol?
The IUPAC name of 2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol (CID 102916132) is 2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol is CC(CO)Cn1ccc2cc(CNC(C)C)ccc21.
What is the InChIKey of 2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol?
The InChIKey is ZBHWNRLBVHBLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)17-9-14-4-5-16-15(8-14)6-7-18(16)10-13(3)11-19/h4-8,12-13,17,19H,9-11H2,1-3H3.
What are the key properties of 2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol?
2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol is sourced from PubChem (CID 102916132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).