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

C23H22ClFN2 — CID 69190117

IUPAC2-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine
SMILESCN(Cc1ccc(F)cc1)c1ccc2c(c1)C(N)C(c1cccc(Cl)c1)C2
InChIInChI=1S/C23H22ClFN2/c1-27(14-15-5-8-19(25)9-6-15)20-10-7-17-12-21(23(26)22(17)13-20)16-3-2-4-18(24)11-16/h2-11,13,21,23H,12,14,26H2,1H3
InChIKeyLDQULAKURNCTOM-UHFFFAOYSA-N
MW380.89 g/mol
LogP5.46
Rot. Bonds4

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

2-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine (PubChem CID 69190117) has the molecular formula C23H22ClFN2 and a molecular weight of 380.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine
PubChem CID69190117
Molecular FormulaC23H22ClFN2
Molecular Weight380.89 g/mol
Exact Mass380.15
IUPAC Name2-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine
SMILESCN(Cc1ccc(F)cc1)c1ccc2c(c1)C(N)C(c1cccc(Cl)c1)C2
InChIInChI=1S/C23H22ClFN2/c1-27(14-15-5-8-19(25)9-6-15)20-10-7-17-12-21(23(26)22(17)13-20)16-3-2-4-18(24)11-16/h2-11,13,21,23H,12,14,26H2,1H3
InChIKeyLDQULAKURNCTOM-UHFFFAOYSA-N
XLogP5.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.89
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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)-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-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene-1,6-diamine
CID 69188259
N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline
CID 39349545
(1R,2R)-6-[(4-fluoro-N-methylanilino)methyl]-2-hydroxy-2,3-dihydro-1H-indene-1-carboxamide
CID 69129552
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
2-chloro-4-[(4-fluorophenyl)methyl-methylamino]benzenecarbothioamide
CID 62948121
4-N-[(4-chlorophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123911
1-N-(3-chlorophenyl)-6-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine
CID 24987275
N'-(3-amino-2-hydroxy-2,3-dihydro-1H-inden-5-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanimidamide
CID 69223014
4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine?
The IUPAC name of 2-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine (CID 69190117) is 2-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine.
What is the SMILES notation for 2-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine?
The canonical SMILES for 2-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine is CN(Cc1ccc(F)cc1)c1ccc2c(c1)C(N)C(c1cccc(Cl)c1)C2.
What is the InChIKey of 2-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine?
The InChIKey is LDQULAKURNCTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2/c1-27(14-15-5-8-19(25)9-6-15)20-10-7-17-12-21(23(26)22(17)13-20)16-3-2-4-18(24)11-16/h2-11,13,21,23H,12,14,26H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine?
2-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine has a molecular weight of 380.89 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine is sourced from PubChem (CID 69190117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).