2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine

C16H24N2O — CID 62575568

IUPAC2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC1Cc2ccccc2N1CCNCC1CCOC1
InChIInChI=1S/C16H24N2O/c1-13-10-15-4-2-3-5-16(15)18(13)8-7-17-11-14-6-9-19-12-14/h2-5,13-14,17H,6-12H2,1H3
InChIKeyBAXWORIDHFVTQK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.06
Rot. Bonds5

About 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine

2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 62575568) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID62575568
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC1Cc2ccccc2N1CCNCC1CCOC1
InChIInChI=1S/C16H24N2O/c1-13-10-15-4-2-3-5-16(15)18(13)8-7-17-11-14-6-9-19-12-14/h2-5,13-14,17H,6-12H2,1H3
InChIKeyBAXWORIDHFVTQK-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.06
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

N-(cyclopropylmethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 60866414
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111645479
1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 71936152
N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxan-4-amine
CID 103058526
3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one
CID 55087543
2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62562885
1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole
CID 66473506
4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine
CID 55070127
cis-(1R,3S)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
CID 125120867
trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
CID 124688900
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111505408
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 155947049

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine (CID 62575568) is 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine is CC1Cc2ccccc2N1CCNCC1CCOC1.
What is the InChIKey of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is BAXWORIDHFVTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-10-15-4-2-3-5-16(15)18(13)8-7-17-11-14-6-9-19-12-14/h2-5,13-14,17H,6-12H2,1H3.
What are the key properties of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 260.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 62575568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).