N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride

C9H13ClFNO — CID 67609576

IUPACN-ethyl-4-fluoro-3-methoxyaniline;hydrochloride
SMILESCCNc1ccc(F)c(OC)c1.Cl
InChIInChI=1S/C9H12FNO.ClH/c1-3-11-7-4-5-8(10)9(6-7)12-2;/h4-6,11H,3H2,1-2H3;1H
InChIKeyQIEXLRSXGPBJNH-UHFFFAOYSA-N
MW205.66 g/mol
LogP2.69
Rot. Bonds3

About N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride

N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride (PubChem CID 67609576) has the molecular formula C9H13ClFNO and a molecular weight of 205.66 g/mol. Its IUPAC name is N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride.

Molecular Properties

Compound NameN-ethyl-4-fluoro-3-methoxyaniline;hydrochloride
PubChem CID67609576
Molecular FormulaC9H13ClFNO
Molecular Weight205.66 g/mol
Exact Mass205.07
IUPAC NameN-ethyl-4-fluoro-3-methoxyaniline;hydrochloride
SMILESCCNc1ccc(F)c(OC)c1.Cl
InChIInChI=1S/C9H12FNO.ClH/c1-3-11-7-4-5-8(10)9(6-7)12-2;/h4-6,11H,3H2,1-2H3;1H
InChIKeyQIEXLRSXGPBJNH-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.66
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038
N-ethyl-4-fluoro-3,5-dimethoxyaniline
CID 10943484
4-fluoro-3-methoxy-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 105022434
2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine
CID 114841089
1-chloro-3-(4-fluoro-3-methoxyanilino)propan-2-ol
CID 168636388
4-fluoro-3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
CID 114839278
4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline
CID 114839538
5-(ethylamino)-2-methoxyphenol
CID 43743866
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838297
N-[(3,4-dibromophenyl)methyl]-4-fluoro-3-methoxyaniline
CID 114838318
2-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)acetamide
CID 114839640
N-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline
CID 142327705

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride?
The IUPAC name of N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride (CID 67609576) is N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride.
What is the SMILES notation for N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride?
The canonical SMILES for N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride is CCNc1ccc(F)c(OC)c1.Cl.
What is the InChIKey of N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride?
The InChIKey is QIEXLRSXGPBJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO.ClH/c1-3-11-7-4-5-8(10)9(6-7)12-2;/h4-6,11H,3H2,1-2H3;1H.
What are the key properties of N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride?
N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride has a molecular weight of 205.66 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride is sourced from PubChem (CID 67609576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).