5-cyclopropyl-7-fluoro-2,3-dihydro-1H-inden-4-amine

C12H14FN — CID 162394388

IUPAC5-cyclopropyl-7-fluoro-2,3-dihydro-1H-inden-4-amine
SMILESNc1c(C2CC2)cc(F)c2c1CCC2
InChIInChI=1S/C12H14FN/c13-11-6-10(7-4-5-7)12(14)9-3-1-2-8(9)11/h6-7H,1-5,14H2
InChIKeyCKUVLTXVGFFCEK-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.77
Rot. Bonds1

About 5-cyclopropyl-7-fluoro-2,3-dihydro-1H-inden-4-amine

5-cyclopropyl-7-fluoro-2,3-dihydro-1H-inden-4-amine (PubChem CID 162394388) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 5-cyclopropyl-7-fluoro-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-7-fluoro-2,3-dihydro-1H-inden-4-amine
PubChem CID162394388
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name5-cyclopropyl-7-fluoro-2,3-dihydro-1H-inden-4-amine
SMILESNc1c(C2CC2)cc(F)c2c1CCC2
InChIInChI=1S/C12H14FN/c13-11-6-10(7-4-5-7)12(14)9-3-1-2-8(9)11/h6-7H,1-5,14H2
InChIKeyCKUVLTXVGFFCEK-UHFFFAOYSA-N
XLogP2.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-2,3-dihydro-1H-inden-4-amine
CID 162394390
6-cyclopropyl-5-methyl-2,3-dihydro-1H-inden-4-amine
CID 146570694
4-cyclohexyl-2-fluoro-5-methylaniline
CID 125449329
3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine
CID 131842982
4-[2-(4-amino-3-cyclobutyl-5-cyclopropylphenyl)-1,1,2,2-tetrafluoroethyl]-2-cyclobutyl-6-cyclopropylaniline
CID 172550292
4,6-dicyclopropyl-3-methylbenzene-1,2-diamine
CID 124706868
5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-amine
CID 147187055
(2S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)azetidine
CID 130718409
4-cyclopropyl-6-fluoro-3-N-methylbenzene-1,3-diamine
CID 123421965
2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 146303850
amino 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
CID 146174041
(1S)-7-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130742780

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-fluoro-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 5-cyclopropyl-7-fluoro-2,3-dihydro-1H-inden-4-amine (CID 162394388) is 5-cyclopropyl-7-fluoro-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 5-cyclopropyl-7-fluoro-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 5-cyclopropyl-7-fluoro-2,3-dihydro-1H-inden-4-amine is Nc1c(C2CC2)cc(F)c2c1CCC2.
What is the InChIKey of 5-cyclopropyl-7-fluoro-2,3-dihydro-1H-inden-4-amine?
The InChIKey is CKUVLTXVGFFCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c13-11-6-10(7-4-5-7)12(14)9-3-1-2-8(9)11/h6-7H,1-5,14H2.
What are the key properties of 5-cyclopropyl-7-fluoro-2,3-dihydro-1H-inden-4-amine?
5-cyclopropyl-7-fluoro-2,3-dihydro-1H-inden-4-amine has a molecular weight of 191.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-fluoro-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 162394388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).