N-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline

C18H22N2 — CID 54806518

IUPACN-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCCN2CCc3ccccc32)c1
InChIInChI=1S/C18H22N2/c1-14-7-8-15(2)17(13-14)19-10-12-20-11-9-16-5-3-4-6-18(16)20/h3-8,13,19H,9-12H2,1-2H3
InChIKeySADMLGQYCLDIHR-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.78
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline

N-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline (PubChem CID 54806518) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline
PubChem CID54806518
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCCN2CCc3ccccc32)c1
InChIInChI=1S/C18H22N2/c1-14-7-8-15(2)17(13-14)19-10-12-20-11-9-16-5-3-4-6-18(16)20/h3-8,13,19H,9-12H2,1-2H3
InChIKeySADMLGQYCLDIHR-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline
CID 103503442
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2,3-dimethylaniline
CID 54807403
2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline
CID 54806092
2-(2,3-dihydroindol-1-yl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9028083
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline
CID 54806693
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
CID 60861432
2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 54807933
N-(5-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034835
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline
CID 54806801
1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one
CID 109034719
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine
CID 54806649
1-butyl-2,3-dihydroindole
CID 4167209

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline (CID 54806518) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline is Cc1ccc(C)c(NCCN2CCc3ccccc32)c1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline?
The InChIKey is SADMLGQYCLDIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14-7-8-15(2)17(13-14)19-10-12-20-11-9-16-5-3-4-6-18(16)20/h3-8,13,19H,9-12H2,1-2H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline?
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline has a molecular weight of 266.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline is sourced from PubChem (CID 54806518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).