5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline

C16H16ClF2NO — CID 43109609

IUPAC5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline
SMILESCc1ccc(Cl)cc1NC(C)c1ccccc1OC(F)F
InChIInChI=1S/C16H16ClF2NO/c1-10-7-8-12(17)9-14(10)20-11(2)13-5-3-4-6-15(13)21-16(18)19/h3-9,11,16,20H,1-2H3
InChIKeyOIFYQYOQVPIISY-UHFFFAOYSA-N
MW311.76 g/mol
LogP5.42
Rot. Bonds5

About 5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline

5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline (PubChem CID 43109609) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is 5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline.

Molecular Properties

Compound Name5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline
PubChem CID43109609
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline
SMILESCc1ccc(Cl)cc1NC(C)c1ccccc1OC(F)F
InChIInChI=1S/C16H16ClF2NO/c1-10-7-8-12(17)9-14(10)20-11(2)13-5-3-4-6-15(13)21-16(18)19/h3-9,11,16,20H,1-2H3
InChIKeyOIFYQYOQVPIISY-UHFFFAOYSA-N
XLogP5.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.76
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 43096601
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
CID 43192576
2-[1-(5-chloro-2-methylanilino)ethyl]phenol
CID 43189458
2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline
CID 43150484
2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline
CID 43733794
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-iodo-4-methylaniline
CID 43716319
2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43107869
2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 65468369
2,4-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43103375
2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43096414
N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43111678
5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline
CID 43729543

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline?
The IUPAC name of 5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline (CID 43109609) is 5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline.
What is the SMILES notation for 5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline?
The canonical SMILES for 5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline is Cc1ccc(Cl)cc1NC(C)c1ccccc1OC(F)F.
What is the InChIKey of 5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline?
The InChIKey is OIFYQYOQVPIISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-10-7-8-12(17)9-14(10)20-11(2)13-5-3-4-6-15(13)21-16(18)19/h3-9,11,16,20H,1-2H3.
What are the key properties of 5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline?
5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline has a molecular weight of 311.76 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline is sourced from PubChem (CID 43109609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).