(1S,2S)-4,6-dichloro-1-(2-fluoro-5-methylphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine

C18H18Cl2FNO — CID 152646050

IUPAC(1S,2S)-4,6-dichloro-1-(2-fluoro-5-methylphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
SMILESCc1ccc(F)c(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N(C)C)c1
InChIInChI=1S/C18H18Cl2FNO/c1-10-4-5-15(21)17(6-10)23-18-13-7-11(19)8-14(20)12(13)9-16(18)22(2)3/h4-8,16,18H,9H2,1-3H3/t16-,18-/m0/s1
InChIKeyZGOFCJCZWCXORQ-WMZOPIPTSA-N
MW354.25 g/mol
LogP5.05
Rot. Bonds3

About (1S,2S)-4,6-dichloro-1-(2-fluoro-5-methylphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine

(1S,2S)-4,6-dichloro-1-(2-fluoro-5-methylphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 152646050) has the molecular formula C18H18Cl2FNO and a molecular weight of 354.25 g/mol. Its IUPAC name is (1S,2S)-4,6-dichloro-1-(2-fluoro-5-methylphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name(1S,2S)-4,6-dichloro-1-(2-fluoro-5-methylphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
PubChem CID152646050
Molecular FormulaC18H18Cl2FNO
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name(1S,2S)-4,6-dichloro-1-(2-fluoro-5-methylphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
SMILESCc1ccc(F)c(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N(C)C)c1
InChIInChI=1S/C18H18Cl2FNO/c1-10-4-5-15(21)17(6-10)23-18-13-7-11(19)8-14(20)12(13)9-16(18)22(2)3/h4-8,16,18H,9H2,1-3H3/t16-,18-/m0/s1
InChIKeyZGOFCJCZWCXORQ-WMZOPIPTSA-N
XLogP5.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.25
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,2S)-4,6-dichloro-1-(2-fluoro-5-methylphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine with MolForge

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Related Compounds

N'-[(1S,2S)-4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 58393600
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[(1S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide
CID 139299353
1-butyl-3-[8-[[4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-3-methylphenyl]sulfonylamino]octyl]urea
CID 177116379
4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-N-pyrrolidin-3-ylbenzenesulfonamide
CID 153283849
1-[2-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-3-methylphenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-3-[4-(methylcarbamoylamino)butyl]urea
CID 165164548
4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine
CID 76775285
1-[2-[2-[2-[[4-[[(1S,2S)-6-chloro-2-(dimethylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-methylphenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-3-[4-[2-[2-[2-[[4-[[(1S,2S)-6-chloro-2-(dimethylamino)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-3-methylphenyl]sulfonylamino]ethoxy]ethoxy]ethylcarbamoylamino]butyl]urea
CID 152861764
1-[(1S,2S)-4,6-dichloro-1-[5-(2-ethyl-4-methylimidazol-1-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 67310984
1-[2-[2-[(3R)-3-[[4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]sulfonylamino]pyrrolidin-1-yl]ethoxy]ethyl]-3-[4-[2-[2-[(3R)-3-[(3-fluorophenyl)sulfonylamino]pyrrolidin-1-yl]ethoxy]ethylcarbamoylamino]butyl]urea
CID 175783470
2-(3-chloro-2,2-dimethylcyclobutyl)oxy-1-fluoro-4-methylbenzene
CID 66344341
4-amino-N-[2-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[[4-[[(1S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-4-methylheptanediamide
CID 139393208
2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one
CID 66367067

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-4,6-dichloro-1-(2-fluoro-5-methylphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of (1S,2S)-4,6-dichloro-1-(2-fluoro-5-methylphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine (CID 152646050) is (1S,2S)-4,6-dichloro-1-(2-fluoro-5-methylphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for (1S,2S)-4,6-dichloro-1-(2-fluoro-5-methylphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for (1S,2S)-4,6-dichloro-1-(2-fluoro-5-methylphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine is Cc1ccc(F)c(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N(C)C)c1.
What is the InChIKey of (1S,2S)-4,6-dichloro-1-(2-fluoro-5-methylphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is ZGOFCJCZWCXORQ-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H18Cl2FNO/c1-10-4-5-15(21)17(6-10)23-18-13-7-11(19)8-14(20)12(13)9-16(18)22(2)3/h4-8,16,18H,9H2,1-3H3/t16-,18-/m0/s1.
What are the key properties of (1S,2S)-4,6-dichloro-1-(2-fluoro-5-methylphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine?
(1S,2S)-4,6-dichloro-1-(2-fluoro-5-methylphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 354.25 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-4,6-dichloro-1-(2-fluoro-5-methylphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 152646050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).