N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride

C9H12ClF2NO — CID 174514684

IUPACN-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride
SMILESCCNc1ccc(OC)c(F)c1F.Cl
InChIInChI=1S/C9H11F2NO.ClH/c1-3-12-6-4-5-7(13-2)9(11)8(6)10;/h4-5,12H,3H2,1-2H3;1H
InChIKeyUSDZKSWVQOGNIA-UHFFFAOYSA-N
MW223.65 g/mol
LogP2.83
Rot. Bonds3

About N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride

N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride (PubChem CID 174514684) has the molecular formula C9H12ClF2NO and a molecular weight of 223.65 g/mol. Its IUPAC name is N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride
PubChem CID174514684
Molecular FormulaC9H12ClF2NO
Molecular Weight223.65 g/mol
Exact Mass223.06
IUPAC NameN-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride
SMILESCCNc1ccc(OC)c(F)c1F.Cl
InChIInChI=1S/C9H11F2NO.ClH/c1-3-12-6-4-5-7(13-2)9(11)8(6)10;/h4-5,12H,3H2,1-2H3;1H
InChIKeyUSDZKSWVQOGNIA-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.65
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N,4-dimethoxyaniline
CID 176996753
2,3-difluoro-4-methoxy-N-propan-2-ylaniline
CID 118342449
N-ethyl-3,4-dimethoxy-2-methylaniline
CID 143026741
3-(ethylamino)-2,6-dimethoxyphenol
CID 19389311
2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43090343
N-ethyl-4-fluoro-3,5-dimethoxyaniline
CID 10943484
1-N-ethyl-2-methoxybenzene-1,4-diamine
CID 23391843
N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride
CID 67609576
1-butoxy-2,3-difluoro-4-methoxybenzene
CID 118933366
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide
CID 86910650
1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one
CID 172859147
1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117291369

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride?
The IUPAC name of N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride (CID 174514684) is N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride.
What is the SMILES notation for N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride?
The canonical SMILES for N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride is CCNc1ccc(OC)c(F)c1F.Cl.
What is the InChIKey of N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride?
The InChIKey is USDZKSWVQOGNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO.ClH/c1-3-12-6-4-5-7(13-2)9(11)8(6)10;/h4-5,12H,3H2,1-2H3;1H.
What are the key properties of N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride?
N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride has a molecular weight of 223.65 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride is sourced from PubChem (CID 174514684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).