2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine

C17H18FN — CID 65411297

IUPAC2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(C(N)C2Cc3ccccc3C2)ccc1F
InChIInChI=1S/C17H18FN/c1-11-8-14(6-7-16(11)18)17(19)15-9-12-4-2-3-5-13(12)10-15/h2-8,15,17H,9-10,19H2,1H3
InChIKeyFQMILHYEGFLBGI-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.55
Rot. Bonds2

About 2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine

2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine (PubChem CID 65411297) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine
PubChem CID65411297
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(C(N)C2Cc3ccccc3C2)ccc1F
InChIInChI=1S/C17H18FN/c1-11-8-14(6-7-16(11)18)17(19)15-9-12-4-2-3-5-13(12)10-15/h2-8,15,17H,9-10,19H2,1H3
InChIKeyFQMILHYEGFLBGI-UHFFFAOYSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 106892811
(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314319
2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol
CID 107128521
(2,5-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 65410116
(2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126557
2,3-dihydro-1H-inden-2-yl-(2-fluorophenyl)methanamine
CID 65409529
2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 65410711
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 79699671
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
(1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol
CID 171267876
1-(4-fluoro-3-methylphenyl)-N'-methylmethanediamine
CID 116939268

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine (CID 65411297) is 2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine is Cc1cc(C(N)C2Cc3ccccc3C2)ccc1F.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine?
The InChIKey is FQMILHYEGFLBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-11-8-14(6-7-16(11)18)17(19)15-9-12-4-2-3-5-13(12)10-15/h2-8,15,17H,9-10,19H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine?
2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine has a molecular weight of 255.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 65411297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).