4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine

C9H13ClN2O — CID 130512868

IUPAC4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine
SMILESCCN(OC)c1cc(Cl)ccc1N
InChIInChI=1S/C9H13ClN2O/c1-3-12(13-2)9-6-7(10)4-5-8(9)11/h4-6H,3,11H2,1-2H3
InChIKeySWJVVUSTRBLGQV-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.31
Rot. Bonds3

About 4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine

4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine (PubChem CID 130512868) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine
PubChem CID130512868
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine
SMILESCCN(OC)c1cc(Cl)ccc1N
InChIInChI=1S/C9H13ClN2O/c1-3-12(13-2)9-6-7(10)4-5-8(9)11/h4-6H,3,11H2,1-2H3
InChIKeySWJVVUSTRBLGQV-UHFFFAOYSA-N
XLogP2.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-butyl-4-chloro-2-N-ethylbenzene-1,2-diamine
CID 115468453
4-chloro-2-N-[3-(dimethylamino)propyl]-2-N-ethylbenzene-1,2-diamine
CID 102991096
1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine
CID 87788373
4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468988
3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine
CID 130512909
2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide
CID 107466016
N-amino-N-(2-amino-5-chlorophenyl)hydroxylamine
CID 135265282
4-chloro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine
CID 112657083
4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466302
N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide
CID 107465946
4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 115468738
4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine
CID 115127668

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine (CID 130512868) is 4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine is CCN(OC)c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine?
The InChIKey is SWJVVUSTRBLGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-3-12(13-2)9-6-7(10)4-5-8(9)11/h4-6H,3,11H2,1-2H3.
What are the key properties of 4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine?
4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine has a molecular weight of 200.67 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine is sourced from PubChem (CID 130512868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).