2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine

C15H14F2N2 — CID 105404497

IUPAC2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(Cc1cc(F)cc(F)c1)C2
InChIInChI=1S/C15H14F2N2/c16-12-4-10(5-13(17)6-12)7-19-8-11-2-1-3-15(18)14(11)9-19/h1-6H,7-9,18H2
InChIKeyCKEBLFRTXFOWSN-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.06
Rot. Bonds2

About 2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine

2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine (PubChem CID 105404497) has the molecular formula C15H14F2N2 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
PubChem CID105404497
Molecular FormulaC15H14F2N2
Molecular Weight260.29 g/mol
Exact Mass260.11
IUPAC Name2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(Cc1cc(F)cc(F)c1)C2
InChIInChI=1S/C15H14F2N2/c16-12-4-10(5-13(17)6-12)7-19-8-11-2-1-3-15(18)14(11)9-19/h1-6H,7-9,18H2
InChIKeyCKEBLFRTXFOWSN-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370224
2-[(3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017935
2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370254
2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370268
2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine
CID 43175805
5-(1,3-dihydroisoindol-2-ylmethyl)-2-fluoroaniline
CID 117221486
2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine
CID 43370258
2-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine
CID 114957269
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370116
2-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61019122
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-fluoroaniline
CID 112645902
2-[(3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522494

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine (CID 105404497) is 2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine is Nc1cccc2c1CN(Cc1cc(F)cc(F)c1)C2.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine?
The InChIKey is CKEBLFRTXFOWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2/c16-12-4-10(5-13(17)6-12)7-19-8-11-2-1-3-15(18)14(11)9-19/h1-6H,7-9,18H2.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine?
2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine has a molecular weight of 260.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 105404497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).