N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline

C15H14Cl2FN — CID 43110873

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline
SMILESCc1ccc(NC(C)c2ccc(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C15H14Cl2FN/c1-9-3-5-12(8-15(9)18)19-10(2)11-4-6-13(16)14(17)7-11/h3-8,10,19H,1-2H3
InChIKeyNVRSVDQDACBEJI-UHFFFAOYSA-N
MW298.19 g/mol
LogP5.61
Rot. Bonds3

About N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline

N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline (PubChem CID 43110873) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline
PubChem CID43110873
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline
SMILESCc1ccc(NC(C)c2ccc(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C15H14Cl2FN/c1-9-3-5-12(8-15(9)18)19-10(2)11-4-6-13(16)14(17)7-11/h3-8,10,19H,1-2H3
InChIKeyNVRSVDQDACBEJI-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.19
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107700001
3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline
CID 43096117
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83057829
N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline
CID 43721439
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107363878
N-[1-(4-chloro-3-fluorophenyl)ethyl]-6-methylpyridin-3-amine
CID 83069397
3-fluoro-4-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43093299
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoro-4-methylaniline
CID 43100863
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline (CID 43110873) is N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline is Cc1ccc(NC(C)c2ccc(Cl)c(Cl)c2)cc1F.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline?
The InChIKey is NVRSVDQDACBEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-9-3-5-12(8-15(9)18)19-10(2)11-4-6-13(16)14(17)7-11/h3-8,10,19H,1-2H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline?
N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline has a molecular weight of 298.19 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline is sourced from PubChem (CID 43110873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).