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

C23H23ClN2O — CID 69189056

IUPAC2-(3-chlorophenyl)-6-N-(4-methoxyphenyl)-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine
SMILESCOc1ccc(N(C)c2ccc3c(c2)C(N)C(c2cccc(Cl)c2)C3)cc1
InChIInChI=1S/C23H23ClN2O/c1-26(18-8-10-20(27-2)11-9-18)19-7-6-16-13-21(23(25)22(16)14-19)15-4-3-5-17(24)12-15/h3-12,14,21,23H,13,25H2,1-2H3
InChIKeyOYSOHHVPIDKQRE-UHFFFAOYSA-N
MW378.90 g/mol
LogP5.46
Rot. Bonds4

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

2-(3-chlorophenyl)-6-N-(4-methoxyphenyl)-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine (PubChem CID 69189056) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-N-(4-methoxyphenyl)-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-N-(4-methoxyphenyl)-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine
PubChem CID69189056
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC Name2-(3-chlorophenyl)-6-N-(4-methoxyphenyl)-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine
SMILESCOc1ccc(N(C)c2ccc3c(c2)C(N)C(c2cccc(Cl)c2)C3)cc1
InChIInChI=1S/C23H23ClN2O/c1-26(18-8-10-20(27-2)11-9-18)19-7-6-16-13-21(23(25)22(16)14-19)15-4-3-5-17(24)12-15/h3-12,14,21,23H,13,25H2,1-2H3
InChIKeyOYSOHHVPIDKQRE-UHFFFAOYSA-N
XLogP5.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)-6-N-(4-methoxyphenyl)-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine with MolForge

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Related Compounds

2-(3-chlorophenyl)-6-N-[(2-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine
CID 69190172
2-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-1,6-diamine
CID 69188259
2-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine
CID 69190117
2-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine
CID 69189292
3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine
CID 110455032
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
2-N-(2,2-dimethylpropyl)-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79374321
7-chloro-1-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83970620
3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine
CID 79430329
2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374666
2-N-cyclohexyl-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79374538
1-(3-chlorophenyl)-7-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 110357531

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-N-(4-methoxyphenyl)-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine?
The IUPAC name of 2-(3-chlorophenyl)-6-N-(4-methoxyphenyl)-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine (CID 69189056) is 2-(3-chlorophenyl)-6-N-(4-methoxyphenyl)-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine.
What is the SMILES notation for 2-(3-chlorophenyl)-6-N-(4-methoxyphenyl)-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine?
The canonical SMILES for 2-(3-chlorophenyl)-6-N-(4-methoxyphenyl)-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine is COc1ccc(N(C)c2ccc3c(c2)C(N)C(c2cccc(Cl)c2)C3)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-6-N-(4-methoxyphenyl)-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine?
The InChIKey is OYSOHHVPIDKQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O/c1-26(18-8-10-20(27-2)11-9-18)19-7-6-16-13-21(23(25)22(16)14-19)15-4-3-5-17(24)12-15/h3-12,14,21,23H,13,25H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-6-N-(4-methoxyphenyl)-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine?
2-(3-chlorophenyl)-6-N-(4-methoxyphenyl)-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine has a molecular weight of 378.90 g/mol, XLogP of 5.46, 4 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-(4-methoxyphenyl)-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine is sourced from PubChem (CID 69189056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).