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

C18H22N2 — CID 62094936

IUPAC2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
SMILESCCc1ccccc1NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C18H22N2/c1-3-15-6-4-5-7-17(15)19-13-14-8-9-18-16(12-14)10-11-20(18)2/h4-9,12,19H,3,10-11,13H2,1-2H3
InChIKeyPHIXFHDRKPAPQT-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.85
Rot. Bonds4

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

2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline (PubChem CID 62094936) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
PubChem CID62094936
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
SMILESCCc1ccccc1NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C18H22N2/c1-3-15-6-4-5-7-17(15)19-13-14-8-9-18-16(12-14)10-11-20(18)2/h4-9,12,19H,3,10-11,13H2,1-2H3
InChIKeyPHIXFHDRKPAPQT-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 55034920
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-nitroaniline
CID 62096511
1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol
CID 62096876
3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 107629922
2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096658
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038
N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 62097009
1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone
CID 84558216
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 110481403
6-chloro-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridin-3-amine
CID 107266378
2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096342

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The IUPAC name of 2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline (CID 62094936) is 2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline.
What is the SMILES notation for 2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The canonical SMILES for 2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline is CCc1ccccc1NCc1ccc2c(c1)CCN2C.
What is the InChIKey of 2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The InChIKey is PHIXFHDRKPAPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-15-6-4-5-7-17(15)19-13-14-8-9-18-16(12-14)10-11-20(18)2/h4-9,12,19H,3,10-11,13H2,1-2H3.
What are the key properties of 2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline has a molecular weight of 266.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline is sourced from PubChem (CID 62094936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).