N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine

C14H23ClN2O2 — CID 28576071

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C14H23ClN2O2/c1-5-17(6-2)8-7-16-12-9-11(15)13(18-3)10-14(12)19-4/h9-10,16H,5-8H2,1-4H3
InChIKeyISNXTFZHXIBDPL-UHFFFAOYSA-N
MW286.80 g/mol
LogP3.11
Rot. Bonds8

About N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine

N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine (PubChem CID 28576071) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine
PubChem CID28576071
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C14H23ClN2O2/c1-5-17(6-2)8-7-16-12-9-11(15)13(18-3)10-14(12)19-4/h9-10,16H,5-8H2,1-4H3
InChIKeyISNXTFZHXIBDPL-UHFFFAOYSA-N
XLogP3.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28572779
5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline
CID 43387887
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82093412
ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate
CID 103233182
methyl 4-(5-chloro-2,4-dimethoxyanilino)butanoate
CID 43377856
4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline
CID 106451234
5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline
CID 61483778
3-(5-chloro-2,4-dimethoxyanilino)-N'-hydroxypropanimidamide
CID 77025331
4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline
CID 106722958
2,5-dichloro-N-(2-chloroethyl)-4-methoxyaniline
CID 115214609
5-chloro-2,4-dimethoxy-N-methylaniline
CID 28576065
N-(3-chloro-4-methoxyphenyl)-N'-ethyl-N'-heptylethane-1,2-diamine
CID 19855895

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine (CID 28576071) is N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is ISNXTFZHXIBDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-5-17(6-2)8-7-16-12-9-11(15)13(18-3)10-14(12)19-4/h9-10,16H,5-8H2,1-4H3.
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine?
N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 286.80 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 28576071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).