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

C15H22N2 — CID 62563400

IUPAC2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine
SMILESCc1cccc2c1ccn2CCNCC(C)C
InChIInChI=1S/C15H22N2/c1-12(2)11-16-8-10-17-9-7-14-13(3)5-4-6-15(14)17/h4-7,9,12,16H,8,10-11H2,1-3H3
InChIKeyOIWDEGOMOUAOTH-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.20
Rot. Bonds5

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

2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine (PubChem CID 62563400) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine
PubChem CID62563400
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine
SMILESCc1cccc2c1ccn2CCNCC(C)C
InChIInChI=1S/C15H22N2/c1-12(2)11-16-8-10-17-9-7-14-13(3)5-4-6-15(14)17/h4-7,9,12,16H,8,10-11H2,1-3H3
InChIKeyOIWDEGOMOUAOTH-UHFFFAOYSA-N
XLogP3.20
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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]propan-1-amine
CID 83163124
N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine
CID 62562532
N-ethyl-3-(4-methylindol-1-yl)propan-1-amine
CID 62562010
N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine
CID 63504513
4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 83162352
1-[3-(2-methylpropylamino)propyl]indole-4-carbonitrile
CID 107918865
2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine
CID 62565422
2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine
CID 63556206
2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62562885
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83164753
1-(4-methylindol-1-yl)propan-2-ol
CID 10631504
(2S)-1-(4-methylindol-1-yl)propan-2-ol
CID 67737659

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine (CID 62563400) is 2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine is Cc1cccc2c1ccn2CCNCC(C)C.
What is the InChIKey of 2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine?
The InChIKey is OIWDEGOMOUAOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12(2)11-16-8-10-17-9-7-14-13(3)5-4-6-15(14)17/h4-7,9,12,16H,8,10-11H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine?
2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 62563400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).