1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol

C16H24N2O — CID 102917013

IUPAC1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol
SMILESCC(C)CNCc1ccc2ccn(CC(C)O)c2c1
InChIInChI=1S/C16H24N2O/c1-12(2)9-17-10-14-4-5-15-6-7-18(11-13(3)19)16(15)8-14/h4-8,12-13,17,19H,9-11H2,1-3H3
InChIKeyDDCYTNWJPXPYOF-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.77
Rot. Bonds6

About 1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol

1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol (PubChem CID 102917013) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol
PubChem CID102917013
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol
SMILESCC(C)CNCc1ccc2ccn(CC(C)O)c2c1
InChIInChI=1S/C16H24N2O/c1-12(2)9-17-10-14-4-5-15-6-7-18(11-13(3)19)16(15)8-14/h4-8,12-13,17,19H,9-11H2,1-3H3
InChIKeyDDCYTNWJPXPYOF-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

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Related Compounds

2-methyl-N-[[1-(4-methylpentyl)indol-6-yl]methyl]propan-1-amine
CID 83149656
2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol
CID 102916325
1-(6-fluoroindol-1-yl)propan-2-ol
CID 10488020
4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol
CID 102916969
(2S)-1-(6-chloroindol-1-yl)propan-2-ol
CID 70160052
2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine
CID 79186203
3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide
CID 102916282
1-(1-ethylindol-6-yl)propan-2-ol
CID 115106620
1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine
CID 82924593
(2S)-1-(5-fluoroindol-1-yl)propan-2-ol
CID 54045711
3-[1-(2-methylpropyl)indol-6-yl]propanoic acid
CID 115106738
2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine
CID 83149657

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol?
The IUPAC name of 1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol (CID 102917013) is 1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol?
The canonical SMILES for 1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol is CC(C)CNCc1ccc2ccn(CC(C)O)c2c1.
What is the InChIKey of 1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol?
The InChIKey is DDCYTNWJPXPYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)9-17-10-14-4-5-15-6-7-18(11-13(3)19)16(15)8-14/h4-8,12-13,17,19H,9-11H2,1-3H3.
What are the key properties of 1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol?
1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-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 1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol is sourced from PubChem (CID 102917013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).