3-(4-methoxy-1-methylindol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine

C18H28N2O — CID 107360517

IUPAC3-(4-methoxy-1-methylindol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOc1cccc2c1c(C(C)(C)CCNC(C)C)cn2C
InChIInChI=1S/C18H28N2O/c1-13(2)19-11-10-18(3,4)14-12-20(5)15-8-7-9-16(21-6)17(14)15/h7-9,12-13,19H,10-11H2,1-6H3
InChIKeyVIBBWXYZVSSPLM-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.85
Rot. Bonds6

About 3-(4-methoxy-1-methylindol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine

3-(4-methoxy-1-methylindol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 107360517) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-(4-methoxy-1-methylindol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-1-methylindol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID107360517
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-(4-methoxy-1-methylindol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOc1cccc2c1c(C(C)(C)CCNC(C)C)cn2C
InChIInChI=1S/C18H28N2O/c1-13(2)19-11-10-18(3,4)14-12-20(5)15-8-7-9-16(21-6)17(14)15/h7-9,12-13,19H,10-11H2,1-6H3
InChIKeyVIBBWXYZVSSPLM-UHFFFAOYSA-N
XLogP3.85
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81022246
3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830315
3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine
CID 79830054
3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81021922
(1R)-1-(4-methoxy-1-methylindol-3-yl)propan-1-ol
CID 107360558
1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol
CID 82278890
3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 81022627
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
3-(1,2-dihydroacenaphthylen-5-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 114939848
3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 116811061
2-(4-methoxy-1-methylindol-3-yl)ethyl-trimethylazanium;iodide;hydrate
CID 156698147
2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol
CID 82782509

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1-methylindol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(4-methoxy-1-methylindol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine (CID 107360517) is 3-(4-methoxy-1-methylindol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(4-methoxy-1-methylindol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(4-methoxy-1-methylindol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine is COc1cccc2c1c(C(C)(C)CCNC(C)C)cn2C.
What is the InChIKey of 3-(4-methoxy-1-methylindol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is VIBBWXYZVSSPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)19-11-10-18(3,4)14-12-20(5)15-8-7-9-16(21-6)17(14)15/h7-9,12-13,19H,10-11H2,1-6H3.
What are the key properties of 3-(4-methoxy-1-methylindol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
3-(4-methoxy-1-methylindol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-1-methylindol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 107360517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).