2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine

C18H28N2O — CID 83164938

IUPAC2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine
SMILESCCCOc1cccc2c1ccn2CCNC(C)(C)CC
InChIInChI=1S/C18H28N2O/c1-5-14-21-17-9-7-8-16-15(17)10-12-20(16)13-11-19-18(3,4)6-2/h7-10,12,19H,5-6,11,13-14H2,1-4H3
InChIKeyUOUWFVKOAYXAPH-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.21
Rot. Bonds8

About 2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine

2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine (PubChem CID 83164938) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine
PubChem CID83164938
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine
SMILESCCCOc1cccc2c1ccn2CCNC(C)(C)CC
InChIInChI=1S/C18H28N2O/c1-5-14-21-17-9-7-8-16-15(17)10-12-20(16)13-11-19-18(3,4)6-2/h7-10,12,19H,5-6,11,13-14H2,1-4H3
InChIKeyUOUWFVKOAYXAPH-UHFFFAOYSA-N
XLogP4.21
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine
CID 83163124
4-propoxy-1-(2-propoxyethyl)indole
CID 106458022
3-(4-propoxyindol-1-yl)propan-1-amine
CID 83163339
1-(2-ethylsulfonylethyl)-4-propoxyindole
CID 83174266
1-(3-ethoxypropyl)-4-propoxyindole
CID 83173539
3-(4-propoxyindol-1-yl)propanoic acid
CID 83163575
N-methyl-3-(4-propoxyindol-1-yl)propanamide
CID 83174183
3-(4-propoxyindol-1-yl)propanamide
CID 83173818
3-(4-propoxyindol-1-yl)propanehydrazide
CID 83162357
1-(3-methylsulfonylpropyl)-4-propoxyindole
CID 83173638
2-(4-propoxyindol-1-yl)acetohydrazide
CID 83163365
N-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine
CID 83162426

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine (CID 83164938) is 2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine is CCCOc1cccc2c1ccn2CCNC(C)(C)CC.
What is the InChIKey of 2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine?
The InChIKey is UOUWFVKOAYXAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-14-21-17-9-7-8-16-15(17)10-12-20(16)13-11-19-18(3,4)6-2/h7-10,12,19H,5-6,11,13-14H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine?
2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine is sourced from PubChem (CID 83164938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).