2-(3-chlorophenyl)-6-N-[(2-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine

C24H24ClFN2O — CID 69190172

About 2-(3-chlorophenyl)-6-N-[(2-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine

2-(3-chlorophenyl)-6-N-[(2-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine (PubChem CID 69190172) has the molecular formula C24H24ClFN2O and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-N-[(2-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-6-N-[(2-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine
• PubChem CID: 69190172
• Molecular Formula: C24H24ClFN2O
• Molecular Weight: 410.92 g/mol
• Exact Mass: 410.16
• IUPAC Name: 2-(3-chlorophenyl)-6-N-[(2-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine
• SMILES: COc1ccc(CN(C)c2ccc3c(c2)C(N)C(c2cccc(Cl)c2)C3)c(F)c1
• InChI: InChI=1S/C24H24ClFN2O/c1-28(14-17-7-9-20(29-2)13-23(17)26)19-8-6-16-11-21(24(27)22(16)12-19)15-4-3-5-18(25)10-15/h3-10,12-13,21,24H,11,14,27H2,1-2H3
• InChIKey: OBVMVAHYEHRUBG-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 38.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.92
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-N-[(2-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine?

The IUPAC name of 2-(3-chlorophenyl)-6-N-[(2-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine (CID 69190172) is 2-(3-chlorophenyl)-6-N-[(2-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine.

What is the SMILES notation for 2-(3-chlorophenyl)-6-N-[(2-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine?

The canonical SMILES for 2-(3-chlorophenyl)-6-N-[(2-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine is COc1ccc(CN(C)c2ccc3c(c2)C(N)C(c2cccc(Cl)c2)C3)c(F)c1.

What is the InChIKey of 2-(3-chlorophenyl)-6-N-[(2-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine?

The InChIKey is OBVMVAHYEHRUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN2O/c1-28(14-17-7-9-20(29-2)13-23(17)26)19-8-6-16-11-21(24(27)22(16)12-19)15-4-3-5-18(25)10-15/h3-10,12-13,21,24H,11,14,27H2,1-2H3.

What are the key properties of 2-(3-chlorophenyl)-6-N-[(2-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine?

2-(3-chlorophenyl)-6-N-[(2-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine has a molecular weight of 410.92 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-6-N-[(2-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine is sourced from PubChem (CID 69190172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).