2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine

C17H20N2O — CID 117006157

IUPAC2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine
SMILESCCOc1ccccc1N1Cc2cccc(NC)c2C1
InChIInChI=1S/C17H20N2O/c1-3-20-17-10-5-4-9-16(17)19-11-13-7-6-8-15(18-2)14(13)12-19/h4-10,18H,3,11-12H2,1-2H3
InChIKeyNNZWMSYXZHUZOS-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.65
Rot. Bonds4

About 2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine

2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine (PubChem CID 117006157) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine
PubChem CID117006157
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine
SMILESCCOc1ccccc1N1Cc2cccc(NC)c2C1
InChIInChI=1S/C17H20N2O/c1-3-20-17-10-5-4-9-16(17)19-11-13-7-6-8-15(18-2)14(13)12-19/h4-10,18H,3,11-12H2,1-2H3
InChIKeyNNZWMSYXZHUZOS-UHFFFAOYSA-N
XLogP3.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine
CID 117006148
3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine
CID 173220801
N-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine
CID 117006133
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
3-(2-ethoxyphenyl)-2,4-dihydrobenzo[h][1,3]benzoxazine
CID 71588450
1-[3-[4-(methylamino)-1,3-dihydroisoindol-2-yl]phenyl]ethanone
CID 117006160
5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 11790021
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19147525
methyl 1-(2-ethoxyphenyl)aziridine-2-carboxylate
CID 117009920
N-(2-ethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108992032
2-[2-(difluoromethoxy)phenyl]-1,3-dihydroisoindol-4-amine
CID 43175728
[2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109269735

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine (CID 117006157) is 2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine is CCOc1ccccc1N1Cc2cccc(NC)c2C1.
What is the InChIKey of 2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine?
The InChIKey is NNZWMSYXZHUZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-20-17-10-5-4-9-16(17)19-11-13-7-6-8-15(18-2)14(13)12-19/h4-10,18H,3,11-12H2,1-2H3.
What are the key properties of 2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine?
2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine has a molecular weight of 268.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 117006157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).