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

C9H13ClN2O — CID 171534963

IUPAC4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine
SMILESCCNc1ccc(Cl)cc1NOC
InChIInChI=1S/C9H13ClN2O/c1-3-11-8-5-4-7(10)6-9(8)12-13-2/h4-6,11-12H,3H2,1-2H3
InChIKeyPSWFKYJTJKDAPZ-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.75
Rot. Bonds4

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

4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine (PubChem CID 171534963) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine
PubChem CID171534963
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine
SMILESCCNc1ccc(Cl)cc1NOC
InChIInChI=1S/C9H13ClN2O/c1-3-11-8-5-4-7(10)6-9(8)12-13-2/h4-6,11-12H,3H2,1-2H3
InChIKeyPSWFKYJTJKDAPZ-UHFFFAOYSA-N
XLogP2.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-N,2-N-diethylbenzene-1,2-diamine
CID 68788018
4-chloro-2-N-methoxy-1-N-(3-methylsulfonylpropyl)benzene-1,2-diamine
CID 144745117
4-chloro-2-(ethylamino)phenol
CID 15847212
5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 154968259
5-chloro-N-ethyl-2-phenylaniline
CID 156564170
5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline
CID 82264840
1-[4-chloro-2-(ethylamino)phenyl]propan-1-one
CID 23619743
3,5-dichloro-N-ethyl-2-methoxyaniline
CID 82267013
[5-chloro-2-(ethylamino)phenyl]methyl carbamate
CID 175511090
4-chloro-2-(ethylamino)benzenecarboximidamide
CID 63094553
2-bromo-N-ethyl-4-methoxyaniline
CID 130675906
3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide
CID 75448856

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine (CID 171534963) is 4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine is CCNc1ccc(Cl)cc1NOC.
What is the InChIKey of 4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine?
The InChIKey is PSWFKYJTJKDAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-3-11-8-5-4-7(10)6-9(8)12-13-2/h4-6,11-12H,3H2,1-2H3.
What are the key properties of 4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine?
4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine has a molecular weight of 200.67 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine is sourced from PubChem (CID 171534963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).