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

C12H19ClN2O2 — CID 28572779

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cc(NCCN(C)C)c(OC)cc1Cl
InChIInChI=1S/C12H19ClN2O2/c1-15(2)6-5-14-10-8-11(16-3)9(13)7-12(10)17-4/h7-8,14H,5-6H2,1-4H3
InChIKeyPSPLKDFQWQPQFI-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.33
Rot. Bonds6

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

N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 28572779) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID28572779
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cc(NCCN(C)C)c(OC)cc1Cl
InChIInChI=1S/C12H19ClN2O2/c1-15(2)6-5-14-10-8-11(16-3)9(13)7-12(10)17-4/h7-8,14H,5-6H2,1-4H3
InChIKeyPSPLKDFQWQPQFI-UHFFFAOYSA-N
XLogP2.33
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82093412
N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine
CID 28576071
N'-(4-chloro-2,5-dimethoxyphenyl)butane-1,4-diamine
CID 82121102
4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline
CID 106451234
4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline
CID 106722958
2-(4-chloro-2,5-dimethoxyanilino)acetonitrile
CID 28572786
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28575908
3-(4-chloro-2,5-dimethoxyanilino)propanamide
CID 43132016
N-(5-methoxy-2-methyl-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 106660217
2,5-dichloro-N-(2-chloroethyl)-4-methoxyaniline
CID 115214609
4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 112857539
3-N-(4-chloro-2,5-dimethoxyphenyl)-5-N-[3-(dimethylamino)propyl]-1,2,4-triazine-3,5-diamine
CID 112945582

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine (CID 28572779) is N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine is COc1cc(NCCN(C)C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is PSPLKDFQWQPQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-15(2)6-5-14-10-8-11(16-3)9(13)7-12(10)17-4/h7-8,14H,5-6H2,1-4H3.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine?
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 258.75 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 28572779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).