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

C17H20N2O — CID 54806693

IUPACN-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline
SMILESCOc1cccc(NCCN2CCc3ccccc32)c1
InChIInChI=1S/C17H20N2O/c1-20-16-7-4-6-15(13-16)18-10-12-19-11-9-14-5-2-3-8-17(14)19/h2-8,13,18H,9-12H2,1H3
InChIKeyPGJKTXMOGSCQFS-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.17
Rot. Bonds5

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

N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline (PubChem CID 54806693) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline
PubChem CID54806693
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline
SMILESCOc1cccc(NCCN2CCc3ccccc32)c1
InChIInChI=1S/C17H20N2O/c1-20-16-7-4-6-15(13-16)18-10-12-19-11-9-14-5-2-3-8-17(14)19/h2-8,13,18H,9-12H2,1H3
InChIKeyPGJKTXMOGSCQFS-UHFFFAOYSA-N
XLogP3.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-heptoxyaniline
CID 54806742
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751
N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
CID 54807048
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline
CID 54806801
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110312763
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline
CID 54806518
2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline
CID 54806092
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methoxypropan-2-amine
CID 55085162
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110353127
N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine
CID 82537037
2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54810775

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline (CID 54806693) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline is COc1cccc(NCCN2CCc3ccccc32)c1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline?
The InChIKey is PGJKTXMOGSCQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-20-16-7-4-6-15(13-16)18-10-12-19-11-9-14-5-2-3-8-17(14)19/h2-8,13,18H,9-12H2,1H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline?
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline has a molecular weight of 268.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline is sourced from PubChem (CID 54806693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).