1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine

C14H20Cl2N2O — CID 43610889

IUPAC1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
SMILESCN(C1CCOCC1)C(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-18(11-4-6-19-7-5-11)14(9-17)10-2-3-12(15)13(16)8-10/h2-3,8,11,14H,4-7,9,17H2,1H3
InChIKeyYSBJVFRBYCISKU-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.10
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine

1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 43610889) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
PubChem CID43610889
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
SMILESCN(C1CCOCC1)C(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-18(11-4-6-19-7-5-11)14(9-17)10-2-3-12(15)13(16)8-10/h2-3,8,11,14H,4-7,9,17H2,1H3
InChIKeyYSBJVFRBYCISKU-UHFFFAOYSA-N
XLogP3.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 65021918
1-(3-bromo-4-fluorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610904
N-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43610867
1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 16789744
1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82734256
1-(2-bromo-5-chlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 66156239
N-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62495950
1-(3-chloro-4-methylphenyl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine
CID 106817357
1-(3-bromo-4-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 83231113
1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43267005
1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610896
N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 61440583

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine (CID 43610889) is 1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine is CN(C1CCOCC1)C(CN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is YSBJVFRBYCISKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-18(11-4-6-19-7-5-11)14(9-17)10-2-3-12(15)13(16)8-10/h2-3,8,11,14H,4-7,9,17H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine?
1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 303.23 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 43610889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).