1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine

C14H22ClFN2O — CID 82948279

IUPAC1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
SMILESCOCCN(C(C)C)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C14H22ClFN2O/c1-10(2)18(7-8-19-3)13(9-17)14-11(15)5-4-6-12(14)16/h4-6,10,13H,7-9,17H2,1-3H3
InChIKeyWZKITGJMOIEZNG-UHFFFAOYSA-N
MW288.79 g/mol
LogP2.84
Rot. Bonds7

About 1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine

1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 82948279) has the molecular formula C14H22ClFN2O and a molecular weight of 288.79 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID82948279
Molecular FormulaC14H22ClFN2O
Molecular Weight288.79 g/mol
Exact Mass288.14
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
SMILESCOCCN(C(C)C)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C14H22ClFN2O/c1-10(2)18(7-8-19-3)13(9-17)14-11(15)5-4-6-12(14)16/h4-6,10,13H,7-9,17H2,1-3H3
InChIKeyWZKITGJMOIEZNG-UHFFFAOYSA-N
XLogP2.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82947962
1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61453182
1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948769
1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271044
1-(2,3-dimethylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82949237
1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948577
N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 82948289
1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002058
1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82949339
1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948358
1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61414930
1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 43080648

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine (CID 82948279) is 1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine is COCCN(C(C)C)C(CN)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is WZKITGJMOIEZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClFN2O/c1-10(2)18(7-8-19-3)13(9-17)14-11(15)5-4-6-12(14)16/h4-6,10,13H,7-9,17H2,1-3H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 288.79 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 82948279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).