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

C17H26N2O — CID 83163124

IUPAC2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine
SMILESCCCOc1cccc2c1ccn2CCNCC(C)C
InChIInChI=1S/C17H26N2O/c1-4-12-20-17-7-5-6-16-15(17)8-10-19(16)11-9-18-13-14(2)3/h5-8,10,14,18H,4,9,11-13H2,1-3H3
InChIKeyKKRGVHVOCSMNCV-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.68
Rot. Bonds8

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

2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine (PubChem CID 83163124) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine
PubChem CID83163124
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine
SMILESCCCOc1cccc2c1ccn2CCNCC(C)C
InChIInChI=1S/C17H26N2O/c1-4-12-20-17-7-5-6-16-15(17)8-10-19(16)11-9-18-13-14(2)3/h5-8,10,14,18H,4,9,11-13H2,1-3H3
InChIKeyKKRGVHVOCSMNCV-UHFFFAOYSA-N
XLogP3.68
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine
CID 83164938
2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine
CID 62563400
4-propoxy-1-(2-propoxyethyl)indole
CID 106458022
4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 83162352
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-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83164753
N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83163508
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine (CID 83163124) is 2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine is CCCOc1cccc2c1ccn2CCNCC(C)C.
What is the InChIKey of 2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine?
The InChIKey is KKRGVHVOCSMNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-12-20-17-7-5-6-16-15(17)8-10-19(16)11-9-18-13-14(2)3/h5-8,10,14,18H,4,9,11-13H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine?
2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.68, 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]propan-1-amine is sourced from PubChem (CID 83163124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).