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

C17H18FN — CID 65406101

IUPAC2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)C1CCc2ccccc21
InChIInChI=1S/C17H18FN/c1-11-10-13(18)7-9-14(11)17(19)16-8-6-12-4-2-3-5-15(12)16/h2-5,7,9-10,16-17H,6,8,19H2,1H3
InChIKeyGUGRHGBKGZIWPE-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.86
Rot. Bonds2

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

2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine (PubChem CID 65406101) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine
PubChem CID65406101
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)C1CCc2ccccc21
InChIInChI=1S/C17H18FN/c1-11-10-13(18)7-9-14(11)17(19)16-8-6-12-4-2-3-5-15(12)16/h2-5,7,9-10,16-17H,6,8,19H2,1H3
InChIKeyGUGRHGBKGZIWPE-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine
CID 65406294
1-(4-fluoro-2-methylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 81270071
(5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 62718085
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine
CID 115852005
(2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol
CID 107512914
(3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine
CID 65405327
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
[(2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]hydrazine
CID 107516416
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
[2,3-dihydro-1H-inden-1-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105234484
(3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63247325
[(5-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]hydrazine
CID 105218802

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine (CID 65406101) is 2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine is Cc1cc(F)ccc1C(N)C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine?
The InChIKey is GUGRHGBKGZIWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-11-10-13(18)7-9-14(11)17(19)16-8-6-12-4-2-3-5-15(12)16/h2-5,7,9-10,16-17H,6,8,19H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine?
2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine has a molecular weight of 255.34 g/mol, XLogP of 3.86, 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-1-yl-(4-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 65406101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).