1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine

C13H18Cl2N2O — CID 82734256

IUPAC1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
SMILESCN(C1CCOC1)C(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-17(12-2-3-18-8-12)13(7-16)9-4-10(14)6-11(15)5-9/h4-6,12-13H,2-3,7-8,16H2,1H3
InChIKeyCBEIRXOUQJBNND-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.71
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine

1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 82734256) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID82734256
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
SMILESCN(C1CCOC1)C(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-17(12-2-3-18-8-12)13(7-16)9-4-10(14)6-11(15)5-9/h4-6,12-13H,2-3,7-8,16H2,1H3
InChIKeyCBEIRXOUQJBNND-UHFFFAOYSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-chlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82733997
1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610889
1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82733450
1-(2-bromo-4-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 114059969
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 65021918
1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82732855
1-(3-bromo-4-fluorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610904
1-(3-chloro-5-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine
CID 114453323
1-(2-bromo-5-chlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 66156239
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82734604
N-cyclopropyl-1-(3,5-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55001719
N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82735293

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine (CID 82734256) is 1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine is CN(C1CCOC1)C(CN)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is CBEIRXOUQJBNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-17(12-2-3-18-8-12)13(7-16)9-4-10(14)6-11(15)5-9/h4-6,12-13H,2-3,7-8,16H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine?
1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 289.21 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82734256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).