N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine

C16H15ClFN — CID 43181892

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc(Cl)c1CNC1CCc2ccccc21
InChIInChI=1S/C16H15ClFN/c17-14-6-3-7-15(18)13(14)10-19-16-9-8-11-4-1-2-5-12(11)16/h1-7,16,19H,8-10H2
InChIKeyXMHIECFOFDAWEN-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.26
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine

N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 43181892) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID43181892
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc(Cl)c1CNC1CCc2ccccc21
InChIInChI=1S/C16H15ClFN/c17-14-6-3-7-15(18)13(14)10-19-16-9-8-11-4-1-2-5-12(11)16/h1-7,16,19H,8-10H2
InChIKeyXMHIECFOFDAWEN-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181872
2-chloro-4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-fluorophenol
CID 142098971
N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 63746470
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62537600
N-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840949
N-[(2,3,6-trichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43234580
N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 78978173
N-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 114452205
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
CID 42889076
2-fluoro-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenol
CID 115951009
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one
CID 43824109

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 43181892) is N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine is Fc1cccc(Cl)c1CNC1CCc2ccccc21.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XMHIECFOFDAWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-14-6-3-7-15(18)13(14)10-19-16-9-8-11-4-1-2-5-12(11)16/h1-7,16,19H,8-10H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 275.75 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43181892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).