1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine

C17H20N2O — CID 79730721

IUPAC1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCCOc1cccc(NC2CCc3cc(N)ccc32)c1
InChIInChI=1S/C17H20N2O/c1-2-20-15-5-3-4-14(11-15)19-17-9-6-12-10-13(18)7-8-16(12)17/h3-5,7-8,10-11,17,19H,2,6,9,18H2,1H3
InChIKeyJXIYZCHCTHNVHV-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.77
Rot. Bonds4

About 1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79730721) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79730721
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCCOc1cccc(NC2CCc3cc(N)ccc32)c1
InChIInChI=1S/C17H20N2O/c1-2-20-15-5-3-4-14(11-15)19-17-9-6-12-10-13(18)7-8-16(12)17/h3-5,7-8,10-11,17,19H,2,6,9,18H2,1H3
InChIKeyJXIYZCHCTHNVHV-UHFFFAOYSA-N
XLogP3.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79735926
1-(3-propoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682035
N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115915933
5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 115916737
1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79725770
N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191383
2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile
CID 43721237
1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 107619042
1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 113477076
1-N-(2-methyl-3-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740883
N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine
CID 54864978
1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682196

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79730721) is 1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine is CCOc1cccc(NC2CCc3cc(N)ccc32)c1.
What is the InChIKey of 1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is JXIYZCHCTHNVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-20-15-5-3-4-14(11-15)19-17-9-6-12-10-13(18)7-8-16(12)17/h3-5,7-8,10-11,17,19H,2,6,9,18H2,1H3.
What are the key properties of 1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79730721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).