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

C17H26N2O — CID 102916325

IUPAC2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol
SMILESCC(C)CNCc1ccc2c(ccn2CC(C)CO)c1
InChIInChI=1S/C17H26N2O/c1-13(2)9-18-10-15-4-5-17-16(8-15)6-7-19(17)11-14(3)12-20/h4-8,13-14,18,20H,9-12H2,1-3H3
InChIKeyTYBVUDILPOLEGK-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.02
Rot. Bonds7

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

2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol (PubChem CID 102916325) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol
PubChem CID102916325
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol
SMILESCC(C)CNCc1ccc2c(ccn2CC(C)CO)c1
InChIInChI=1S/C17H26N2O/c1-13(2)9-18-10-15-4-5-17-16(8-15)6-7-19(17)11-14(3)12-20/h4-8,13-14,18,20H,9-12H2,1-3H3
InChIKeyTYBVUDILPOLEGK-UHFFFAOYSA-N
XLogP3.02
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol
CID 102916132
3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol
CID 102912449
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
3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102915922
1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol
CID 102917013
N-[[1-(2-ethylbutyl)indol-5-yl]methyl]ethanamine
CID 82925492
2-[5-(ethylaminomethyl)indol-1-yl]ethanol
CID 102915827
(2S)-3-indol-1-yl-2-methylpropan-1-ol
CID 139469635
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile
CID 102915930
2-methyl-N-[[1-(4-methylpentyl)indol-6-yl]methyl]propan-1-amine
CID 83149656

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol?
The IUPAC name of 2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol (CID 102916325) is 2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol is CC(C)CNCc1ccc2c(ccn2CC(C)CO)c1.
What is the InChIKey of 2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol?
The InChIKey is TYBVUDILPOLEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)9-18-10-15-4-5-17-16(8-15)6-7-19(17)11-14(3)12-20/h4-8,13-14,18,20H,9-12H2,1-3H3.
What are the key properties of 2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol?
2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol has a molecular weight of 274.41 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol is sourced from PubChem (CID 102916325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).