N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline

C16H17ClFNO — CID 83069691

IUPACN-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H17ClFNO/c1-11(12-7-8-14(17)15(18)9-12)19-16-6-4-3-5-13(16)10-20-2/h3-9,11,19H,10H2,1-2H3
InChIKeyWGNVOQDHNROPFY-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.80
Rot. Bonds5

About N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline

N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline (PubChem CID 83069691) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline
PubChem CID83069691
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H17ClFNO/c1-11(12-7-8-14(17)15(18)9-12)19-16-6-4-3-5-13(16)10-20-2/h3-9,11,19H,10H2,1-2H3
InChIKeyWGNVOQDHNROPFY-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
CID 102848913
1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 83069930
2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline
CID 43514914
N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline
CID 43677953
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43194744
2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine
CID 83069299
1-(4-chloro-3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 82890179
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-ethoxypyridin-3-amine
CID 83069768
2-bromo-N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-methylaniline
CID 83069708
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline
CID 43687355
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 83069531
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 83058969

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline (CID 83069691) is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline is COCc1ccccc1NC(C)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline?
The InChIKey is WGNVOQDHNROPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11(12-7-8-14(17)15(18)9-12)19-16-6-4-3-5-13(16)10-20-2/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline?
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline has a molecular weight of 293.77 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline is sourced from PubChem (CID 83069691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).