N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline

C16H17F2N — CID 43097532

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline
SMILESCc1ccc(C)c(C(C)Nc2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H17F2N/c1-10-4-5-11(2)16(6-10)12(3)19-15-8-13(17)7-14(18)9-15/h4-9,12,19H,1-3H3
InChIKeyNDVUANGAJKCSSP-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.75
Rot. Bonds3

About N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline

N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline (PubChem CID 43097532) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline
PubChem CID43097532
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline
SMILESCc1ccc(C)c(C(C)Nc2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H17F2N/c1-10-4-5-11(2)16(6-10)12(3)19-15-8-13(17)7-14(18)9-15/h4-9,12,19H,1-3H3
InChIKeyNDVUANGAJKCSSP-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylaniline
CID 43094148
4-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43742646
N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline
CID 43114183
2-(2,5-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile
CID 79055455
2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluoroaniline
CID 43119372
3-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43207007
3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 107364338
N-[1-(2,5-dimethylphenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43109710
2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol
CID 61237493
4-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-3-methoxyaniline
CID 82858351
3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 102815738
N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 43095447

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline (CID 43097532) is N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline is Cc1ccc(C)c(C(C)Nc2cc(F)cc(F)c2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline?
The InChIKey is NDVUANGAJKCSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-10-4-5-11(2)16(6-10)12(3)19-15-8-13(17)7-14(18)9-15/h4-9,12,19H,1-3H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline?
N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline has a molecular weight of 261.31 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline is sourced from PubChem (CID 43097532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).