N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine

C14H23ClN2O — CID 63070244

IUPACN'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine
SMILESCCOC(CN)CN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C14H23ClN2O/c1-4-18-12(9-16)10-17(3)11(2)13-7-5-6-8-14(13)15/h5-8,11-12H,4,9-10,16H2,1-3H3
InChIKeyPJANFAAUSMCIKH-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.70
Rot. Bonds7

About N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine

N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine (PubChem CID 63070244) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine
PubChem CID63070244
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine
SMILESCCOC(CN)CN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C14H23ClN2O/c1-4-18-12(9-16)10-17(3)11(2)13-7-5-6-8-14(13)15/h5-8,11-12H,4,9-10,16H2,1-3H3
InChIKeyPJANFAAUSMCIKH-UHFFFAOYSA-N
XLogP2.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 62980189
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
CID 113416108
ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate
CID 82770188
N-[[2-(aminomethyl)phenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62980012
N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 106114801
2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 63069851
1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol
CID 62333644
N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine
CID 63069709
N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine (CID 63070244) is N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine is CCOC(CN)CN(C)C(C)c1ccccc1Cl.
What is the InChIKey of N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine?
The InChIKey is PJANFAAUSMCIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-4-18-12(9-16)10-17(3)11(2)13-7-5-6-8-14(13)15/h5-8,11-12H,4,9-10,16H2,1-3H3.
What are the key properties of N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine?
N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine has a molecular weight of 270.80 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 63070244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).