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

C17H24FN — CID 116532004

IUPAC1-(3,4-dimethylcyclohexyl)-5-fluoro-2,3-dihydroinden-1-amine
SMILESCC1CCC(C2(N)CCc3cc(F)ccc32)CC1C
InChIInChI=1S/C17H24FN/c1-11-3-4-14(9-12(11)2)17(19)8-7-13-10-15(18)5-6-16(13)17/h5-6,10-12,14H,3-4,7-9,19H2,1-2H3
InChIKeyLGOWSINBSZBFQO-UHFFFAOYSA-N
MW261.38 g/mol
LogP4.00
Rot. Bonds1

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

1-(3,4-dimethylcyclohexyl)-5-fluoro-2,3-dihydroinden-1-amine (PubChem CID 116532004) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-5-fluoro-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-5-fluoro-2,3-dihydroinden-1-amine
PubChem CID116532004
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name1-(3,4-dimethylcyclohexyl)-5-fluoro-2,3-dihydroinden-1-amine
SMILESCC1CCC(C2(N)CCc3cc(F)ccc32)CC1C
InChIInChI=1S/C17H24FN/c1-11-3-4-14(9-12(11)2)17(19)8-7-13-10-15(18)5-6-16(13)17/h5-6,10-12,14H,3-4,7-9,19H2,1-2H3
InChIKeyLGOWSINBSZBFQO-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]
CID 116532256
1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine
CID 64776596
1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531949
5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine
CID 116532005
ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 172615392
1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531960
1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine
CID 62802200
5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol
CID 116531788
1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2,3-dihydroinden-1-ol
CID 116532506
6-fluoro-5'-methylspiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]
CID 116532160
1-ethyl-5-fluoro-2,3-dihydroinden-1-ol
CID 59340428
(6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine
CID 115057321

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-5-fluoro-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-5-fluoro-2,3-dihydroinden-1-amine (CID 116532004) is 1-(3,4-dimethylcyclohexyl)-5-fluoro-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-5-fluoro-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-5-fluoro-2,3-dihydroinden-1-amine is CC1CCC(C2(N)CCc3cc(F)ccc32)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-5-fluoro-2,3-dihydroinden-1-amine?
The InChIKey is LGOWSINBSZBFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-11-3-4-14(9-12(11)2)17(19)8-7-13-10-15(18)5-6-16(13)17/h5-6,10-12,14H,3-4,7-9,19H2,1-2H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-5-fluoro-2,3-dihydroinden-1-amine?
1-(3,4-dimethylcyclohexyl)-5-fluoro-2,3-dihydroinden-1-amine has a molecular weight of 261.38 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-5-fluoro-2,3-dihydroinden-1-amine is sourced from PubChem (CID 116532004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).