1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine

C17H20N2O — CID 79735926

IUPAC1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCCOc1ccc(NC2CCc3cc(N)ccc32)cc1
InChIInChI=1S/C17H20N2O/c1-2-20-15-7-5-14(6-8-15)19-17-10-3-12-11-13(18)4-9-16(12)17/h4-9,11,17,19H,2-3,10,18H2,1H3
InChIKeyCOYNAXXVPIUWIO-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.77
Rot. Bonds4

About 1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79735926) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79735926
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCCOc1ccc(NC2CCc3cc(N)ccc32)cc1
InChIInChI=1S/C17H20N2O/c1-2-20-15-7-5-14(6-8-15)19-17-10-3-12-11-13(18)4-9-16(12)17/h4-9,11,17,19H,2-3,10,18H2,1H3
InChIKeyCOYNAXXVPIUWIO-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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79730721
N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115915933
N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191383
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-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682196
1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79742028
1-(4-ethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681814
1-N-(2-methyl-3-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740883
1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724206
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 102903875

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79735926) is 1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine is CCOc1ccc(NC2CCc3cc(N)ccc32)cc1.
What is the InChIKey of 1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is COYNAXXVPIUWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-20-15-7-5-14(6-8-15)19-17-10-3-12-11-13(18)4-9-16(12)17/h4-9,11,17,19H,2-3,10,18H2,1H3.
What are the key properties of 1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(4-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-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79735926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).