N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine

C17H19NO — CID 43191383

IUPACN-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCOc1ccc(NC2CCc3ccccc32)cc1
InChIInChI=1S/C17H19NO/c1-2-19-15-10-8-14(9-11-15)18-17-12-7-13-5-3-4-6-16(13)17/h3-6,8-11,17-18H,2,7,12H2,1H3
InChIKeyRJFSXOFVPZCCTD-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.18
Rot. Bonds4

About N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine

N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 43191383) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID43191383
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCOc1ccc(NC2CCc3ccccc32)cc1
InChIInChI=1S/C17H19NO/c1-2-19-15-10-8-14(9-11-15)18-17-12-7-13-5-3-4-6-16(13)17/h3-6,8-11,17-18H,2,7,12H2,1H3
InChIKeyRJFSXOFVPZCCTD-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115915933
1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79735926
ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate
CID 43321711
N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191712
N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 51273592
1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 5221280
1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79730721
2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine
CID 65404742
2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11890819
2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11890821
2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile
CID 43721237
N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 43672235

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine (CID 43191383) is N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine is CCOc1ccc(NC2CCc3ccccc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RJFSXOFVPZCCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-19-15-10-8-14(9-11-15)18-17-12-7-13-5-3-4-6-16(13)17/h3-6,8-11,17-18H,2,7,12H2,1H3.
What are the key properties of N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine?
N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 253.34 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43191383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).