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

C23H23ClN2O — CID 69188259

IUPAC2-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-1,6-diamine
SMILESCOc1ccc(CNc2ccc3c(c2)C(N)C(c2cccc(Cl)c2)C3)cc1
InChIInChI=1S/C23H23ClN2O/c1-27-20-9-5-15(6-10-20)14-26-19-8-7-17-12-21(23(25)22(17)13-19)16-3-2-4-18(24)11-16/h2-11,13,21,23,26H,12,14,25H2,1H3
InChIKeyLRQFOGGUJFZASM-UHFFFAOYSA-N
MW378.90 g/mol
LogP5.30
Rot. Bonds5

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

2-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-1,6-diamine (PubChem CID 69188259) 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)methyl]-2,3-dihydro-1H-indene-1,6-diamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-1,6-diamine
PubChem CID69188259
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC Name2-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-1,6-diamine
SMILESCOc1ccc(CNc2ccc3c(c2)C(N)C(c2cccc(Cl)c2)C3)cc1
InChIInChI=1S/C23H23ClN2O/c1-27-20-9-5-15(6-10-20)14-26-19-8-7-17-12-21(23(25)22(17)13-19)16-3-2-4-18(24)11-16/h2-11,13,21,23,26H,12,14,25H2,1H3
InChIKeyLRQFOGGUJFZASM-UHFFFAOYSA-N
XLogP5.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-6-N-(4-methoxyphenyl)-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine
CID 69189056
2-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indene-1,6-diamine
CID 69189292
2-(3-chlorophenyl)-6-N-[(2-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine
CID 69190172
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 142720853
3-chloro-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline
CID 82538574
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241
2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol
CID 43743650
3-chloro-N-[(4-propoxyphenyl)methyl]aniline
CID 29296989
6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine
CID 44533101
N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline
CID 79979621
3-[(3-chlorophenyl)methoxy]-4-(2-cyclohexylethoxy)-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20803476

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-1,6-diamine?
The IUPAC name of 2-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-1,6-diamine (CID 69188259) is 2-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-1,6-diamine.
What is the SMILES notation for 2-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-1,6-diamine?
The canonical SMILES for 2-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-1,6-diamine is COc1ccc(CNc2ccc3c(c2)C(N)C(c2cccc(Cl)c2)C3)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-1,6-diamine?
The InChIKey is LRQFOGGUJFZASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O/c1-27-20-9-5-15(6-10-20)14-26-19-8-7-17-12-21(23(25)22(17)13-19)16-3-2-4-18(24)11-16/h2-11,13,21,23,26H,12,14,25H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-1,6-diamine?
2-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-1,6-diamine has a molecular weight of 378.90 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-1,6-diamine is sourced from PubChem (CID 69188259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).