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

C24H24ClFN2O — CID 24987275

IUPAC1-N-(3-chlorophenyl)-6-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine
SMILESCOc1ccc(CN(C)c2ccc3c(c2)C(Nc2cccc(Cl)c2)CC3)cc1F
InChIInChI=1S/C24H24ClFN2O/c1-28(15-16-6-11-24(29-2)22(26)12-16)20-9-7-17-8-10-23(21(17)14-20)27-19-5-3-4-18(25)13-19/h3-7,9,11-14,23,27H,8,10,15H2,1-2H3
InChIKeyIPTRBSZIAHTNTN-UHFFFAOYSA-N
MW410.92 g/mol
LogP6.22
Rot. Bonds6

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

1-N-(3-chlorophenyl)-6-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine (PubChem CID 24987275) has the molecular formula C24H24ClFN2O and a molecular weight of 410.92 g/mol. Its IUPAC name is 1-N-(3-chlorophenyl)-6-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine.

Molecular Properties

Compound Name1-N-(3-chlorophenyl)-6-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine
PubChem CID24987275
Molecular FormulaC24H24ClFN2O
Molecular Weight410.92 g/mol
Exact Mass410.16
IUPAC Name1-N-(3-chlorophenyl)-6-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine
SMILESCOc1ccc(CN(C)c2ccc3c(c2)C(Nc2cccc(Cl)c2)CC3)cc1F
InChIInChI=1S/C24H24ClFN2O/c1-28(15-16-6-11-24(29-2)22(26)12-16)20-9-7-17-8-10-23(21(17)14-20)27-19-5-3-4-18(25)13-19/h3-7,9,11-14,23,27H,8,10,15H2,1-2H3
InChIKeyIPTRBSZIAHTNTN-UHFFFAOYSA-N
XLogP6.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.92
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-chlorophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,6-diamine
CID 91360537
1-N-(3-chlorophenyl)-6-N-methyl-6-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indene-1,6-diamine
CID 24991697
6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 90851114
6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 25096521
4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline
CID 43275566
N-(3-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367397
1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682716
N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline
CID 82536944
N-(3-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43094337
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9431823
5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 63422795
N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 114838359

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chlorophenyl)-6-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine?
The IUPAC name of 1-N-(3-chlorophenyl)-6-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine (CID 24987275) is 1-N-(3-chlorophenyl)-6-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine.
What is the SMILES notation for 1-N-(3-chlorophenyl)-6-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine?
The canonical SMILES for 1-N-(3-chlorophenyl)-6-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine is COc1ccc(CN(C)c2ccc3c(c2)C(Nc2cccc(Cl)c2)CC3)cc1F.
What is the InChIKey of 1-N-(3-chlorophenyl)-6-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine?
The InChIKey is IPTRBSZIAHTNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN2O/c1-28(15-16-6-11-24(29-2)22(26)12-16)20-9-7-17-8-10-23(21(17)14-20)27-19-5-3-4-18(25)13-19/h3-7,9,11-14,23,27H,8,10,15H2,1-2H3.
What are the key properties of 1-N-(3-chlorophenyl)-6-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine?
1-N-(3-chlorophenyl)-6-N-[(3-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 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chlorophenyl)-6-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine is sourced from PubChem (CID 24987275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).