N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine

C17H18FNO — CID 115915933

IUPACN-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCOc1ccc(NC2CCc3cc(F)ccc32)cc1
InChIInChI=1S/C17H18FNO/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,2-3,10H2,1H3
InChIKeyXFOZWRWBPOHJEG-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.32
Rot. Bonds4

About N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine

N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 115915933) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID115915933
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCOc1ccc(NC2CCc3cc(F)ccc32)cc1
InChIInChI=1S/C17H18FNO/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,2-3,10H2,1H3
InChIKeyXFOZWRWBPOHJEG-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.32
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

1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79735926
N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191383
N-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115917148
5-fluoro-N-(4-iodophenyl)-2,3-dihydro-1H-inden-1-amine
CID 116530824
5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 115916737
N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530961
1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79730721
N'-(4-ethoxyphenyl)-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]oxamide
CID 95307520
5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 115918170
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115929026
N-(3-ethoxycyclobutyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 103917688
5-fluoro-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 116530756

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine (CID 115915933) is N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine is CCOc1ccc(NC2CCc3cc(F)ccc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XFOZWRWBPOHJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/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,2-3,10H2,1H3.
What are the key properties of N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 271.34 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115915933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).