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

C16H15F2N — CID 62197516

IUPAC2-[(2,4-difluorophenyl)methyl]-1,3-dihydroinden-2-amine
SMILESNC1(Cc2ccc(F)cc2F)Cc2ccccc2C1
InChIInChI=1S/C16H15F2N/c17-14-6-5-13(15(18)7-14)10-16(19)8-11-3-1-2-4-12(11)9-16/h1-7H,8-10,19H2
InChIKeyYCDWLGVVAUCPFZ-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.00
Rot. Bonds2

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

2-[(2,4-difluorophenyl)methyl]-1,3-dihydroinden-2-amine (PubChem CID 62197516) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-1,3-dihydroinden-2-amine
PubChem CID62197516
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name2-[(2,4-difluorophenyl)methyl]-1,3-dihydroinden-2-amine
SMILESNC1(Cc2ccc(F)cc2F)Cc2ccccc2C1
InChIInChI=1S/C16H15F2N/c17-14-6-5-13(15(18)7-14)10-16(19)8-11-3-1-2-4-12(11)9-16/h1-7H,8-10,19H2
InChIKeyYCDWLGVVAUCPFZ-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 62621053
2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 62621612
2-[(5-fluoro-2-methylphenyl)methyl]-1,3-dihydroinden-2-amine
CID 105373067
2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 105373089
1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080003
2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 107883808
[2-[(4-fluoro-2-methylphenyl)methyl]-1,3-dihydroinden-2-yl]methanamine
CID 114349751
2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147155
3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine
CID 79451763
1-[(2-fluorophenyl)methyl]cyclooctan-1-amine
CID 80603906
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
CID 114853412
6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 63633059

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-1,3-dihydroinden-2-amine?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-1,3-dihydroinden-2-amine (CID 62197516) is 2-[(2,4-difluorophenyl)methyl]-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-1,3-dihydroinden-2-amine is NC1(Cc2ccc(F)cc2F)Cc2ccccc2C1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-1,3-dihydroinden-2-amine?
The InChIKey is YCDWLGVVAUCPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c17-14-6-5-13(15(18)7-14)10-16(19)8-11-3-1-2-4-12(11)9-16/h1-7H,8-10,19H2.
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-1,3-dihydroinden-2-amine?
2-[(2,4-difluorophenyl)methyl]-1,3-dihydroinden-2-amine has a molecular weight of 259.30 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-1,3-dihydroinden-2-amine is sourced from PubChem (CID 62197516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).