1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine

C17H18FN — CID 116531960

IUPAC1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine
SMILESCc1ccc(C2(N)CCc3cc(F)ccc32)c(C)c1
InChIInChI=1S/C17H18FN/c1-11-3-5-15(12(2)9-11)17(19)8-7-13-10-14(18)4-6-16(13)17/h3-6,9-10H,7-8,19H2,1-2H3
InChIKeyOOFYRMJXPOGRQA-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.59
Rot. Bonds1

About 1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine

1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine (PubChem CID 116531960) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine
PubChem CID116531960
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine
SMILESCc1ccc(C2(N)CCc3cc(F)ccc32)c(C)c1
InChIInChI=1S/C17H18FN/c1-11-3-5-15(12(2)9-11)17(19)8-7-13-10-14(18)4-6-16(13)17/h3-6,9-10H,7-8,19H2,1-2H3
InChIKeyOOFYRMJXPOGRQA-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine
CID 116532005
1-(4-bromothiophen-3-yl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116532011
1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531885
1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine
CID 55120511
1-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116532012
5-fluoro-1-quinolin-5-yl-2,3-dihydroinden-1-amine
CID 116531900
6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]
CID 116532256
5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine
CID 116532073
5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine
CID 116531567
2-(2,4-dimethylphenyl)-1,3-dihydroinden-2-amine
CID 55120370
5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol
CID 105373031
5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol
CID 116531754

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine (CID 116531960) is 1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine is Cc1ccc(C2(N)CCc3cc(F)ccc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine?
The InChIKey is OOFYRMJXPOGRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-11-3-5-15(12(2)9-11)17(19)8-7-13-10-14(18)4-6-16(13)17/h3-6,9-10H,7-8,19H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine?
1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine has a molecular weight of 255.34 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine is sourced from PubChem (CID 116531960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).