2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol

C16H24N2O — CID 94074110

IUPAC2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol
SMILESCCCn1cc(CNC(C)(C)CO)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-4-9-18-11-13(10-17-16(2,3)12-19)14-7-5-6-8-15(14)18/h5-8,11,17,19H,4,9-10,12H2,1-3H3
InChIKeyPXJYFNJWDWAGMT-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.91
Rot. Bonds6

About 2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol

2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol (PubChem CID 94074110) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol
PubChem CID94074110
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol
SMILESCCCn1cc(CNC(C)(C)CO)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-4-9-18-11-13(10-17-16(2,3)12-19)14-7-5-6-8-15(14)18/h5-8,11,17,19H,4,9-10,12H2,1-3H3
InChIKeyPXJYFNJWDWAGMT-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol
CID 79355094
N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
CID 119027572
1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027513
2-methyl-N-[(1-pent-3-ynylindol-3-yl)methyl]propan-2-amine
CID 104811631
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine
CID 124824299
3-tert-butyl-1-propylindole
CID 137421343
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135
1-(furan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 94074131
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol (CID 94074110) is 2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol is CCCn1cc(CNC(C)(C)CO)c2ccccc21.
What is the InChIKey of 2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol?
The InChIKey is PXJYFNJWDWAGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-9-18-11-13(10-17-16(2,3)12-19)14-7-5-6-8-15(14)18/h5-8,11,17,19H,4,9-10,12H2,1-3H3.
What are the key properties of 2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol?
2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 94074110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).