N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine

C14H23ClN2O — CID 63069709

IUPACN'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine
SMILESCCOC(CN)CCN(C)Cc1ccccc1Cl
InChIInChI=1S/C14H23ClN2O/c1-3-18-13(10-16)8-9-17(2)11-12-6-4-5-7-14(12)15/h4-7,13H,3,8-11,16H2,1-2H3
InChIKeyVJYCISZTDLAHRP-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.53
Rot. Bonds8

About N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine

N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine (PubChem CID 63069709) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine
PubChem CID63069709
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine
SMILESCCOC(CN)CCN(C)Cc1ccccc1Cl
InChIInChI=1S/C14H23ClN2O/c1-3-18-13(10-16)8-9-17(2)11-12-6-4-5-7-14(12)15/h4-7,13H,3,8-11,16H2,1-2H3
InChIKeyVJYCISZTDLAHRP-UHFFFAOYSA-N
XLogP2.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644408
2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 63070049
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 63071613
4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide
CID 114227270
2-[(2-chlorophenyl)methoxy]pentan-1-amine
CID 83044971
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644732
2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine
CID 63666306
ethyl 4-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]butanoate
CID 86908494
N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine
CID 63070244
2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide
CID 63070450

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine (CID 63069709) is N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine is CCOC(CN)CCN(C)Cc1ccccc1Cl.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine?
The InChIKey is VJYCISZTDLAHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-3-18-13(10-16)8-9-17(2)11-12-6-4-5-7-14(12)15/h4-7,13H,3,8-11,16H2,1-2H3.
What are the key properties of N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine?
N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine has a molecular weight of 270.80 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 63069709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).