1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

C14H20ClFN2O — CID 61431561

IUPAC1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CC1CCCO1)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C14H20ClFN2O/c1-18(9-10-4-3-7-19-10)13(8-17)14-11(15)5-2-6-12(14)16/h2,5-6,10,13H,3-4,7-9,17H2,1H3
InChIKeyBRTPZOBAISDUAP-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.59
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 61431561) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID61431561
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CC1CCCO1)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C14H20ClFN2O/c1-18(9-10-4-3-7-19-10)13(8-17)14-11(15)5-2-6-12(14)16/h2,5-6,10,13H,3-4,7-9,17H2,1H3
InChIKeyBRTPZOBAISDUAP-UHFFFAOYSA-N
XLogP2.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxolan-2-ylmethyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 63052460
1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271044
1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431124
1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61414930
1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002058
1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54983656
1-(4-ethoxyphenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431322
1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine
CID 63470631
1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 79971747
2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432188
1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 104816344
1-isoquinolin-4-yl-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104504094

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 61431561) is 1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is CN(CC1CCCO1)C(CN)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is BRTPZOBAISDUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-18(9-10-4-3-7-19-10)13(8-17)14-11(15)5-2-6-12(14)16/h2,5-6,10,13H,3-4,7-9,17H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 286.78 g/mol, XLogP of 2.59, 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-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61431561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).