(1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine

C16H16FN — CID 59582051

IUPAC(1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN[C@H]1C[C@@H](c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H16FN/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16/h2-9,15-16,18H,10H2,1H3/t15-,16-/m0/s1
InChIKeyJVGDVUQOPGOQIW-HOTGVXAUSA-N
MW241.31 g/mol
LogP3.62
Rot. Bonds2

About (1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine

(1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 59582051) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is (1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID59582051
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name(1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN[C@H]1C[C@@H](c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H16FN/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16/h2-9,15-16,18H,10H2,1H3/t15-,16-/m0/s1
InChIKeyJVGDVUQOPGOQIW-HOTGVXAUSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,3S)-3-(3,4-difluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 59582043
3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 3020939
3-(5-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 24887100
(1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene
CID 129382987
(1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 69206313
(4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54133361
(1R,3S)-3-(7-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 24886833
(1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride
CID 175666140
(1S,4R)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408706
(1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 24887103
(1R,4S)-4-(4-bromophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 18600609
(1S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408686

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 59582051) is (1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine is CN[C@H]1C[C@@H](c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of (1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JVGDVUQOPGOQIW-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H16FN/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16/h2-9,15-16,18H,10H2,1H3/t15-,16-/m0/s1.
What are the key properties of (1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
(1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 241.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 59582051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).