3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine

C10H15ClN2O — CID 104834240

IUPAC3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine
SMILESCOCCN(C)c1cccc(Cl)c1N
InChIInChI=1S/C10H15ClN2O/c1-13(6-7-14-2)9-5-3-4-8(11)10(9)12/h3-5H,6-7,12H2,1-2H3
InChIKeyXCQYUXDXZOIIOR-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.00
Rot. Bonds4

About 3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine

3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine (PubChem CID 104834240) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine
PubChem CID104834240
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine
SMILESCOCCN(C)c1cccc(Cl)c1N
InChIInChI=1S/C10H15ClN2O/c1-13(6-7-14-2)9-5-3-4-8(11)10(9)12/h3-5H,6-7,12H2,1-2H3
InChIKeyXCQYUXDXZOIIOR-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine
CID 113458658
2-chloro-6-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
CID 62497153
1-(2-amino-3-chloro-N-methylanilino)propan-2-ol
CID 104834446
3-chloro-1-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 104834477
3-chloro-1-N-[(3-chlorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834227
2-amino-3-[3-methoxypropyl(methyl)amino]benzoic acid
CID 115545998
3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834154
2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide
CID 62496660
2-chloro-N-ethyl-N-(2-methoxyethyl)aniline
CID 139729852
3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine
CID 63062749
2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol
CID 63059522
(1R)-1-[3-chloro-4-[2-methoxyethyl(methyl)amino]phenyl]ethanol
CID 63371408

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine (CID 104834240) is 3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine is COCCN(C)c1cccc(Cl)c1N.
What is the InChIKey of 3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine?
The InChIKey is XCQYUXDXZOIIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-13(6-7-14-2)9-5-3-4-8(11)10(9)12/h3-5H,6-7,12H2,1-2H3.
What are the key properties of 3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine?
3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine has a molecular weight of 214.70 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 104834240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).