2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine

C16H22N2O — CID 62562885

IUPAC2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCc1cccc2c1ccn2CCNCC1CCOC1
InChIInChI=1S/C16H22N2O/c1-13-3-2-4-16-15(13)5-8-18(16)9-7-17-11-14-6-10-19-12-14/h2-5,8,14,17H,6-7,9-12H2,1H3
InChIKeyNTCOVWJMBGUZJS-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.58
Rot. Bonds5

About 2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine

2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 62562885) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID62562885
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCc1cccc2c1ccn2CCNCC1CCOC1
InChIInChI=1S/C16H22N2O/c1-13-3-2-4-16-15(13)5-8-18(16)9-7-17-11-14-6-10-19-12-14/h2-5,8,14,17H,6-7,9-12H2,1H3
InChIKeyNTCOVWJMBGUZJS-UHFFFAOYSA-N
XLogP2.58
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile
CID 107918833
N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine
CID 63504513
4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one
CID 62986607
2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 63879209
2-(3-bromo-2-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62829587
2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine
CID 62563400
1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one
CID 80582524
1-(2-cyclopentylethyl)-4-methylindole
CID 114192720
N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine
CID 82791538
N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine
CID 62562532
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62575568
3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one
CID 55087543

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine (CID 62562885) is 2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine is Cc1cccc2c1ccn2CCNCC1CCOC1.
What is the InChIKey of 2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is NTCOVWJMBGUZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-3-2-4-16-15(13)5-8-18(16)9-7-17-11-14-6-10-19-12-14/h2-5,8,14,17H,6-7,9-12H2,1H3.
What are the key properties of 2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 258.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 62562885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).