N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline

C17H19F2NO — CID 43110389

IUPACN-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline
SMILESCc1ccc(NC(C)c2ccc(OC(F)F)cc2)cc1C
InChIInChI=1S/C17H19F2NO/c1-11-4-7-15(10-12(11)2)20-13(3)14-5-8-16(9-6-14)21-17(18)19/h4-10,13,17,20H,1-3H3
InChIKeyCSYAMWWUNDEBOC-UHFFFAOYSA-N
MW291.34 g/mol
LogP5.08
Rot. Bonds5

About N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline (PubChem CID 43110389) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline
PubChem CID43110389
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline
SMILESCc1ccc(NC(C)c2ccc(OC(F)F)cc2)cc1C
InChIInChI=1S/C17H19F2NO/c1-11-4-7-15(10-12(11)2)20-13(3)14-5-8-16(9-6-14)21-17(18)19/h4-10,13,17,20H,1-3H3
InChIKeyCSYAMWWUNDEBOC-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.34
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoro-4-methylaniline
CID 43100863
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline
CID 43099103
2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol
CID 107678509
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-iodoaniline
CID 43124494
4-(difluoromethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43103644
3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107070
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
CID 43104475
N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline
CID 43094074
4-chloro-3-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43721459
2-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22965421
2-bromo-5-chloro-N-[1-[4-(difluoromethoxy)phenyl]ethyl]aniline
CID 81269412
4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline
CID 43080628

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline (CID 43110389) is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline is Cc1ccc(NC(C)c2ccc(OC(F)F)cc2)cc1C.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline?
The InChIKey is CSYAMWWUNDEBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-11-4-7-15(10-12(11)2)20-13(3)14-5-8-16(9-6-14)21-17(18)19/h4-10,13,17,20H,1-3H3.
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline?
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline has a molecular weight of 291.34 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline is sourced from PubChem (CID 43110389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).