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

C16H15ClFN — CID 107883808

IUPAC2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
SMILESNC1(Cc2ccc(Cl)c(F)c2)Cc2ccccc2C1
InChIInChI=1S/C16H15ClFN/c17-14-6-5-11(7-15(14)18)8-16(19)9-12-3-1-2-4-13(12)10-16/h1-7H,8-10,19H2
InChIKeyUIYGOEQFMVGXBN-UHFFFAOYSA-N
MW275.75 g/mol
LogP3.52
Rot. Bonds2

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

2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine (PubChem CID 107883808) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is 2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
PubChem CID107883808
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC Name2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
SMILESNC1(Cc2ccc(Cl)c(F)c2)Cc2ccccc2C1
InChIInChI=1S/C16H15ClFN/c17-14-6-5-11(7-15(14)18)8-16(19)9-12-3-1-2-4-13(12)10-16/h1-7H,8-10,19H2
InChIKeyUIYGOEQFMVGXBN-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 114012589
1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 107883803
2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 62621053
1-[(4-chloro-3-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 114012591
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine
CID 62619932
[1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 107897274
2-[(2,4-difluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 62197516
1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 114012587
3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 107889770
[1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 107894915
2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 103041925
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
CID 107883416

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine?
The IUPAC name of 2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine (CID 107883808) is 2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine is NC1(Cc2ccc(Cl)c(F)c2)Cc2ccccc2C1.
What is the InChIKey of 2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine?
The InChIKey is UIYGOEQFMVGXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-14-6-5-11(7-15(14)18)8-16(19)9-12-3-1-2-4-13(12)10-16/h1-7H,8-10,19H2.
What are the key properties of 2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine?
2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine has a molecular weight of 275.75 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine is sourced from PubChem (CID 107883808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).