1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine

C16H18ClFN2O — CID 104816310

IUPAC1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine
SMILESCOc1cccc(Cl)c1C(CN)N(C)c1ccccc1F
InChIInChI=1S/C16H18ClFN2O/c1-20(13-8-4-3-7-12(13)18)14(10-19)16-11(17)6-5-9-15(16)21-2/h3-9,14H,10,19H2,1-2H3
InChIKeyFSGBEGOLZSMNJZ-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.62
Rot. Bonds5

About 1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine

1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine (PubChem CID 104816310) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine
PubChem CID104816310
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine
SMILESCOc1cccc(Cl)c1C(CN)N(C)c1ccccc1F
InChIInChI=1S/C16H18ClFN2O/c1-20(13-8-4-3-7-12(13)18)14(10-19)16-11(17)6-5-9-15(16)21-2/h3-9,14H,10,19H2,1-2H3
InChIKeyFSGBEGOLZSMNJZ-UHFFFAOYSA-N
XLogP3.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 104816241
1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 104816327
1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 104816340
1-(2-chloro-6-methoxyphenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 104816278
1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271044
N-[(5-bromothiophen-3-yl)methyl]-1-(2-chloro-6-methoxyphenyl)-N-methylethane-1,2-diamine
CID 104816285
2-(2-chloro-6-methoxyphenyl)-2-triethylsilyloxyethanamine
CID 123701807
tert-butyl N-[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]-N-methylcarbamate
CID 82023515
N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 43126039
[2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252351
1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 104816344
1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 104816313

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine (CID 104816310) is 1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine is COc1cccc(Cl)c1C(CN)N(C)c1ccccc1F.
What is the InChIKey of 1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine?
The InChIKey is FSGBEGOLZSMNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-20(13-8-4-3-7-12(13)18)14(10-19)16-11(17)6-5-9-15(16)21-2/h3-9,14H,10,19H2,1-2H3.
What are the key properties of 1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine?
1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine has a molecular weight of 308.78 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 104816310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).