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

C18H20FN — CID 116532005

IUPAC5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine
SMILESCc1cc(C)c(C2(N)CCc3cc(F)ccc32)cc1C
InChIInChI=1S/C18H20FN/c1-11-8-13(3)17(9-12(11)2)18(20)7-6-14-10-15(19)4-5-16(14)18/h4-5,8-10H,6-7,20H2,1-3H3
InChIKeyHKUYFKUCGCQBGH-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.90
Rot. Bonds1

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

5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine (PubChem CID 116532005) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine
PubChem CID116532005
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine
SMILESCc1cc(C)c(C2(N)CCc3cc(F)ccc32)cc1C
InChIInChI=1S/C18H20FN/c1-11-8-13(3)17(9-12(11)2)18(20)7-6-14-10-15(19)4-5-16(14)18/h4-5,8-10H,6-7,20H2,1-3H3
InChIKeyHKUYFKUCGCQBGH-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531960
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-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116532012
1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine
CID 55120511
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-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol
CID 105373031
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
5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol
CID 116531754
1-ethyl-5-fluoro-2,3-dihydroinden-1-ol
CID 59340428

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine?
The IUPAC name of 5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine (CID 116532005) is 5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine.
What is the SMILES notation for 5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine?
The canonical SMILES for 5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine is Cc1cc(C)c(C2(N)CCc3cc(F)ccc32)cc1C.
What is the InChIKey of 5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine?
The InChIKey is HKUYFKUCGCQBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-11-8-13(3)17(9-12(11)2)18(20)7-6-14-10-15(19)4-5-16(14)18/h4-5,8-10H,6-7,20H2,1-3H3.
What are the key properties of 5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine?
5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine has a molecular weight of 269.36 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine is sourced from PubChem (CID 116532005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).