4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline

C16H17ClFNO2 — CID 43111565

IUPAC4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
SMILESCOc1cc(NC(C)c2cccc(F)c2)c(OC)cc1Cl
InChIInChI=1S/C16H17ClFNO2/c1-10(11-5-4-6-12(18)7-11)19-14-9-15(20-2)13(17)8-16(14)21-3/h4-10,19H,1-3H3
InChIKeyUGUGQZXYAPUJIN-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.67
Rot. Bonds5

About 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline

4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline (PubChem CID 43111565) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline.

Molecular Properties

Compound Name4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
PubChem CID43111565
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
SMILESCOc1cc(NC(C)c2cccc(F)c2)c(OC)cc1Cl
InChIInChI=1S/C16H17ClFNO2/c1-10(11-5-4-6-12(18)7-11)19-14-9-15(20-2)13(17)8-16(14)21-3/h4-10,19H,1-3H3
InChIKeyUGUGQZXYAPUJIN-UHFFFAOYSA-N
XLogP4.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221526
2-chloro-4,5-dimethoxy-N-[1-(3-methylphenyl)ethyl]aniline
CID 43784482
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221357
2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol
CID 43105239
5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline
CID 63453286
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
methyl 4-fluoro-2-[1-(3-fluorophenyl)ethylamino]benzoate
CID 43735257
4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43192168
4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
CID 43192175
4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline
CID 43438946
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
CID 43690097
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline
CID 107632466

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline?
The IUPAC name of 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline (CID 43111565) is 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline.
What is the SMILES notation for 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline?
The canonical SMILES for 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline is COc1cc(NC(C)c2cccc(F)c2)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline?
The InChIKey is UGUGQZXYAPUJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-10(11-5-4-6-12(18)7-11)19-14-9-15(20-2)13(17)8-16(14)21-3/h4-10,19H,1-3H3.
What are the key properties of 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline?
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline has a molecular weight of 309.77 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline is sourced from PubChem (CID 43111565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).