3,5-dichloro-2-methoxyaniline

C7H7Cl2NO — CID 11217747

IUPAC3,5-dichloro-2-methoxyaniline
SMILESCOc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C7H7Cl2NO/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,10H2,1H3
InChIKeyFCNJFFUXQXCKFS-UHFFFAOYSA-N
MW192.05 g/mol
LogP2.58
Rot. Bonds1

About 3,5-dichloro-2-methoxyaniline

3,5-dichloro-2-methoxyaniline (PubChem CID 11217747) has the molecular formula C7H7Cl2NO and a molecular weight of 192.05 g/mol. Its IUPAC name is 3,5-dichloro-2-methoxyaniline.

Molecular Properties

Compound Name3,5-dichloro-2-methoxyaniline
PubChem CID11217747
Molecular FormulaC7H7Cl2NO
Molecular Weight192.05 g/mol
Exact Mass190.99
IUPAC Name3,5-dichloro-2-methoxyaniline
SMILESCOc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C7H7Cl2NO/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,10H2,1H3
InChIKeyFCNJFFUXQXCKFS-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.05
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-2-hexoxyaniline
CID 54853380
3,5-dichloro-2-(2-methylprop-2-enoxy)aniline
CID 54853382
methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene
CID 157172540
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
3,5-dichloro-2-(2,2-difluoroethoxy)aniline
CID 19622891
(1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine
CID 66517963
1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021
1,5-dichloro-3-(2-chloroethyl)-2-methoxybenzene
CID 82477195
5-chloro-3-methoxy-2-methylaniline
CID 97179579
3-chloro-2-methoxyaniline;hydrochloride
CID 17233805
2-amino-2-(3,5-dichloro-2-methoxyphenyl)ethanethiol
CID 116830511
1-(2-amino-4,6-dichlorophenyl)-2,2-dimethoxyethanone
CID 21474021

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-methoxyaniline?
The IUPAC name of 3,5-dichloro-2-methoxyaniline (CID 11217747) is 3,5-dichloro-2-methoxyaniline.
What is the SMILES notation for 3,5-dichloro-2-methoxyaniline?
The canonical SMILES for 3,5-dichloro-2-methoxyaniline is COc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-methoxyaniline?
The InChIKey is FCNJFFUXQXCKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,10H2,1H3.
What are the key properties of 3,5-dichloro-2-methoxyaniline?
3,5-dichloro-2-methoxyaniline has a molecular weight of 192.05 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-methoxyaniline is sourced from PubChem (CID 11217747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).