1-[(1R,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine

C17H18FN — CID 59582001

IUPAC1-[(1R,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@@H](c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C17H18FN/c1-19-11-13-10-17(12-5-4-6-14(18)9-12)16-8-3-2-7-15(13)16/h2-9,13,17,19H,10-11H2,1H3/t13-,17-/m0/s1
InChIKeyQZSBIPCNHACTSG-GUYCJALGSA-N
MW255.34 g/mol
LogP3.66
Rot. Bonds3

About 1-[(1R,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine

1-[(1R,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine (PubChem CID 59582001) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-[(1R,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1R,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine
PubChem CID59582001
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name1-[(1R,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@@H](c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C17H18FN/c1-19-11-13-10-17(12-5-4-6-14(18)9-12)16-8-3-2-7-15(13)16/h2-9,13,17,19H,10-11H2,1H3/t13-,17-/m0/s1
InChIKeyQZSBIPCNHACTSG-GUYCJALGSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine
CID 59581966
1-[2-(3-fluorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 81028965
1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558271
(1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479948
1-[2-[3-(4-fluorophenyl)phenyl]cyclopropyl]-N-methylmethanamine
CID 71207055
1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
CID 112545998
(1S,3S)-3-(3,4-difluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 59582043
(1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 59582051
3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63821741
(2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 166638679
4-(3-fluorophenyl)-N-methylcyclohexan-1-amine
CID 82283505
[2-(3-fluorophenyl)cyclopropyl]methanol
CID 53275735

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine?
The IUPAC name of 1-[(1R,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine (CID 59582001) is 1-[(1R,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(1R,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(1R,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine is CNC[C@@H]1C[C@@H](c2cccc(F)c2)c2ccccc21.
What is the InChIKey of 1-[(1R,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine?
The InChIKey is QZSBIPCNHACTSG-GUYCJALGSA-N. The full InChI is InChI=1S/C17H18FN/c1-19-11-13-10-17(12-5-4-6-14(18)9-12)16-8-3-2-7-15(13)16/h2-9,13,17,19H,10-11H2,1H3/t13-,17-/m0/s1.
What are the key properties of 1-[(1R,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine?
1-[(1R,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine has a molecular weight of 255.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine is sourced from PubChem (CID 59582001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).