1-[(3-chlorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-amine

C16H15ClFN — CID 116532021

IUPAC1-[(3-chlorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-amine
SMILESNC1(Cc2cccc(Cl)c2)CCc2cc(F)ccc21
InChIInChI=1S/C16H15ClFN/c17-13-3-1-2-11(8-13)10-16(19)7-6-12-9-14(18)4-5-15(12)16/h1-5,8-9H,6-7,10,19H2
InChIKeyBGAQUBMNPTXXKL-UHFFFAOYSA-N
MW275.75 g/mol
LogP3.82
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-amine

1-[(3-chlorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-amine (PubChem CID 116532021) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-amine
PubChem CID116532021
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC Name1-[(3-chlorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-amine
SMILESNC1(Cc2cccc(Cl)c2)CCc2cc(F)ccc21
InChIInChI=1S/C16H15ClFN/c17-13-3-1-2-11(8-13)10-16(19)7-6-12-9-14(18)4-5-15(12)16/h1-5,8-9H,6-7,10,19H2
InChIKeyBGAQUBMNPTXXKL-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-amine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-amine (CID 116532021) is 1-[(3-chlorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-amine is NC1(Cc2cccc(Cl)c2)CCc2cc(F)ccc21.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-amine?
The InChIKey is BGAQUBMNPTXXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-13-3-1-2-11(8-13)10-16(19)7-6-12-9-14(18)4-5-15(12)16/h1-5,8-9H,6-7,10,19H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-amine?
1-[(3-chlorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-amine has a molecular weight of 275.75 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-amine is sourced from PubChem (CID 116532021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).