1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile

C14H15FN2 — CID 116531236

IUPAC1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(NCC2CC2)CCc2cc(F)ccc21
InChIInChI=1S/C14H15FN2/c15-12-3-4-13-11(7-12)5-6-14(13,9-16)17-8-10-1-2-10/h3-4,7,10,17H,1-2,5-6,8H2
InChIKeyUTHJIOQYULHRGG-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.49
Rot. Bonds3

About 1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile

1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile (PubChem CID 116531236) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile
PubChem CID116531236
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(NCC2CC2)CCc2cc(F)ccc21
InChIInChI=1S/C14H15FN2/c15-12-3-4-13-11(7-12)5-6-14(13,9-16)17-8-10-1-2-10/h3-4,7,10,17H,1-2,5-6,8H2
InChIKeyUTHJIOQYULHRGG-UHFFFAOYSA-N
XLogP2.49
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile
CID 116531183
1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 116532488
5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile
CID 116531861
1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
CID 116532491
1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531949
1-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 105438205
1-(4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84767283
6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]
CID 116532256
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
5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol
CID 116531788
5-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)furan-2-carboxylic acid
CID 106946439

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile (CID 116531236) is 1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile is N#CC1(NCC2CC2)CCc2cc(F)ccc21.
What is the InChIKey of 1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile?
The InChIKey is UTHJIOQYULHRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c15-12-3-4-13-11(7-12)5-6-14(13,9-16)17-8-10-1-2-10/h3-4,7,10,17H,1-2,5-6,8H2.
What are the key properties of 1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile?
1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile has a molecular weight of 230.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 116531236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).