N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline

C16H16ClF2NO — CID 43425516

IUPACN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C16H16ClF2NO/c1-2-11-5-3-4-6-14(11)20-10-12-9-13(17)7-8-15(12)21-16(18)19/h3-9,16,20H,2,10H2,1H3
InChIKeyDQVJTISFYIKKGP-UHFFFAOYSA-N
MW311.76 g/mol
LogP5.12
Rot. Bonds6

About N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline (PubChem CID 43425516) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
PubChem CID43425516
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C16H16ClF2NO/c1-2-11-5-3-4-6-14(11)20-10-12-9-13(17)7-8-15(12)21-16(18)19/h3-9,16,20H,2,10H2,1H3
InChIKeyDQVJTISFYIKKGP-UHFFFAOYSA-N
XLogP5.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.76
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-2-ethylaniline
CID 126122492
2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline
CID 81268813
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylaniline
CID 43425414
N-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 66158683
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 81289888
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719785
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-methylaniline
CID 63478583
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 61038504
(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956
N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline
CID 54920225
2,4-dichloro-6-[(2-ethylanilino)methyl]phenol
CID 28525259

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline?
The IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline (CID 43425516) is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline.
What is the SMILES notation for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline?
The canonical SMILES for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline is CCc1ccccc1NCc1cc(Cl)ccc1OC(F)F.
What is the InChIKey of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline?
The InChIKey is DQVJTISFYIKKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-2-11-5-3-4-6-14(11)20-10-12-9-13(17)7-8-15(12)21-16(18)19/h3-9,16,20H,2,10H2,1H3.
What are the key properties of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline?
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline has a molecular weight of 311.76 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline is sourced from PubChem (CID 43425516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).