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

C14H20Cl2N2O — CID 61431124

IUPAC1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CC1CCCO1)C(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-18(9-13-3-2-4-19-13)14(8-17)10-5-11(15)7-12(16)6-10/h5-7,13-14H,2-4,8-9,17H2,1H3
InChIKeyWAFWEMYKIABDQZ-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.10
Rot. Bonds5

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

1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 61431124) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID61431124
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CC1CCCO1)C(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-18(9-13-3-2-4-19-13)14(8-17)10-5-11(15)7-12(16)6-10/h5-7,13-14H,2-4,8-9,17H2,1H3
InChIKeyWAFWEMYKIABDQZ-UHFFFAOYSA-N
XLogP3.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

N-methyl-N-(oxolan-2-ylmethyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 63052460
N-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine
CID 62860754
1-(4-ethoxyphenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431322
1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431561
N-methyl-1-(6-methyl-3-pyridinyl)-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 104822193
1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54983656
1-(3,5-dichlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79308719
1-isoquinolin-4-yl-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104504094
1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82734256
1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine
CID 55227719
1-(5-bromothiophen-2-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 54983746
N-methyl-1-(3-methylimidazol-4-yl)-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 66117724

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 61431124) is 1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is CN(CC1CCCO1)C(CN)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is WAFWEMYKIABDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-18(9-13-3-2-4-19-13)14(8-17)10-5-11(15)7-12(16)6-10/h5-7,13-14H,2-4,8-9,17H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 303.23 g/mol, XLogP of 3.10, 5 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-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61431124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).