2-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-2,5-diamine

C16H17FN2 — CID 22319309

IUPAC2-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-2,5-diamine
SMILESNc1ccc2c(c1)CC(NCc1ccc(F)cc1)C2
InChIInChI=1S/C16H17FN2/c17-14-4-1-11(2-5-14)10-19-16-8-12-3-6-15(18)7-13(12)9-16/h1-7,16,19H,8-10,18H2
InChIKeyBMKXYZNXASACNN-UHFFFAOYSA-N
MW256.32 g/mol
LogP2.66
Rot. Bonds3

About 2-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-2,5-diamine

2-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-2,5-diamine (PubChem CID 22319309) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-2,5-diamine.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-2,5-diamine
PubChem CID22319309
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name2-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-2,5-diamine
SMILESNc1ccc2c(c1)CC(NCc1ccc(F)cc1)C2
InChIInChI=1S/C16H17FN2/c17-14-4-1-11(2-5-14)10-19-16-8-12-3-6-15(18)7-13(12)9-16/h1-7,16,19H,8-10,18H2
InChIKeyBMKXYZNXASACNN-UHFFFAOYSA-N
XLogP2.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]oxetan-3-amine
CID 56604676
2-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indene-2,5-diamine
CID 11310989
N-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 89120982
2-N-[(3,4-dimethylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dihydro-1H-indene-2,5-diamine
CID 142095216
N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
CID 126650805
N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 62539237
1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
(2R)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334375
(2S)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334377
N-[(4-aminophenyl)methyl]pyrrolidin-3-amine
CID 19853352
N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112681857

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-2,5-diamine?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-2,5-diamine (CID 22319309) is 2-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-2,5-diamine.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-2,5-diamine?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-2,5-diamine is Nc1ccc2c(c1)CC(NCc1ccc(F)cc1)C2.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-2,5-diamine?
The InChIKey is BMKXYZNXASACNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c17-14-4-1-11(2-5-14)10-19-16-8-12-3-6-15(18)7-13(12)9-16/h1-7,16,19H,8-10,18H2.
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-2,5-diamine?
2-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-2,5-diamine has a molecular weight of 256.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-2,5-diamine is sourced from PubChem (CID 22319309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).