1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine

C14H22N2O — CID 117201525

IUPAC1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine
SMILESCCN1c2ccc(OC)cc2CC1CC(C)N
InChIInChI=1S/C14H22N2O/c1-4-16-12(7-10(2)15)8-11-9-13(17-3)5-6-14(11)16/h5-6,9-10,12H,4,7-8,15H2,1-3H3
InChIKeyDDTXERJWARSCNH-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.18
Rot. Bonds4

About 1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine

1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine (PubChem CID 117201525) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine
PubChem CID117201525
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine
SMILESCCN1c2ccc(OC)cc2CC1CC(C)N
InChIInChI=1S/C14H22N2O/c1-4-16-12(7-10(2)15)8-11-9-13(17-3)5-6-14(11)16/h5-6,9-10,12H,4,7-8,15H2,1-3H3
InChIKeyDDTXERJWARSCNH-UHFFFAOYSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol
CID 117201471
O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine
CID 117201497
3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201536
1-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propan-2-amine
CID 117201327
3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid
CID 117201564
5-methoxy-2-methyl-2,3-dihydroindol-1-amine
CID 154110611
2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 117201446
(2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole
CID 58740920
1-butan-2-yl-5-methoxy-2,3-dihydroindole
CID 134286495
3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117201453
1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine
CID 117374676
1,2-diethyl-2,3-dihydroindole-5-carboxamide
CID 151975903

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine?
The IUPAC name of 1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine (CID 117201525) is 1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine?
The canonical SMILES for 1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine is CCN1c2ccc(OC)cc2CC1CC(C)N.
What is the InChIKey of 1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine?
The InChIKey is DDTXERJWARSCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-16-12(7-10(2)15)8-11-9-13(17-3)5-6-14(11)16/h5-6,9-10,12H,4,7-8,15H2,1-3H3.
What are the key properties of 1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine?
1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine has a molecular weight of 234.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine is sourced from PubChem (CID 117201525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).