5-bromo-N-ethyl-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine

C20H23BrFN — CID 58614016

IUPAC5-bromo-N-ethyl-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCCN(CCc1cccc(C)c1)C1CCc2c1ccc(Br)c2F
InChIInChI=1S/C20H23BrFN/c1-3-23(12-11-15-6-4-5-14(2)13-15)19-10-8-17-16(19)7-9-18(21)20(17)22/h4-7,9,13,19H,3,8,10-12H2,1-2H3
InChIKeyRANSIPGFJAVCGW-UHFFFAOYSA-N
MW376.31 g/mol
LogP5.45
Rot. Bonds5

About 5-bromo-N-ethyl-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine

5-bromo-N-ethyl-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 58614016) has the molecular formula C20H23BrFN and a molecular weight of 376.31 g/mol. Its IUPAC name is 5-bromo-N-ethyl-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID58614016
Molecular FormulaC20H23BrFN
Molecular Weight376.31 g/mol
Exact Mass375.10
IUPAC Name5-bromo-N-ethyl-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCCN(CCc1cccc(C)c1)C1CCc2c1ccc(Br)c2F
InChIInChI=1S/C20H23BrFN/c1-3-23(12-11-15-6-4-5-14(2)13-15)19-10-8-17-16(19)7-9-18(21)20(17)22/h4-7,9,13,19H,3,8,10-12H2,1-2H3
InChIKeyRANSIPGFJAVCGW-UHFFFAOYSA-N
XLogP5.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.31
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-4-ol
CID 82982103
N'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 103637921
N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine
CID 129060272
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 106648197
N'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 70827164
2-(3-methylphenyl)ethanolate
CID 142208639
[1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105297114
1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol
CID 105088452
[methyl-[2-(3-methylphenyl)ethyl]amino]methanol
CID 115229547
3-[(3-methylphenyl)methyl]cyclohexan-1-one
CID 64520140
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide
CID 60611411

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-ethyl-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 58614016) is 5-bromo-N-ethyl-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-ethyl-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-ethyl-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is CCN(CCc1cccc(C)c1)C1CCc2c1ccc(Br)c2F.
What is the InChIKey of 5-bromo-N-ethyl-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RANSIPGFJAVCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrFN/c1-3-23(12-11-15-6-4-5-14(2)13-15)19-10-8-17-16(19)7-9-18(21)20(17)22/h4-7,9,13,19H,3,8,10-12H2,1-2H3.
What are the key properties of 5-bromo-N-ethyl-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-ethyl-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 376.31 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 58614016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).