2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol

C15H22N2O — CID 107234805

IUPAC2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1c(C)c2ccccc2n1C
InChIInChI=1S/C15H22N2O/c1-4-12(10-18)16-9-15-11(2)13-7-5-6-8-14(13)17(15)3/h5-8,12,16,18H,4,9-10H2,1-3H3
InChIKeySHMJIAZEOOIOLX-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.35
Rot. Bonds5

About 2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol

2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol (PubChem CID 107234805) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol
PubChem CID107234805
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1c(C)c2ccccc2n1C
InChIInChI=1S/C15H22N2O/c1-4-12(10-18)16-9-15-11(2)13-7-5-6-8-14(13)17(15)3/h5-8,12,16,18H,4,9-10H2,1-3H3
InChIKeySHMJIAZEOOIOLX-UHFFFAOYSA-N
XLogP2.35
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[(1,3-dimethylindol-2-yl)methylamino]propane-1,3-diol
CID 107235824
3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol
CID 107236217
N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 107235513
2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 107235585
2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 107236349
N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine
CID 107235779
(1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
CID 107235986
3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol
CID 107235809
N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine
CID 107235433
N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 107235503
N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine
CID 107234543
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol
CID 7425045

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol?
The IUPAC name of 2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol (CID 107234805) is 2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol is CCC(CO)NCc1c(C)c2ccccc2n1C.
What is the InChIKey of 2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol?
The InChIKey is SHMJIAZEOOIOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-12(10-18)16-9-15-11(2)13-7-5-6-8-14(13)17(15)3/h5-8,12,16,18H,4,9-10H2,1-3H3.
What are the key properties of 2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol?
2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 107234805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).