N-butyl-2,4-difluoro-N-phenylaniline

C16H17F2N — CID 68652325

IUPACN-butyl-2,4-difluoro-N-phenylaniline
SMILESCCCCN(c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C16H17F2N/c1-2-3-11-19(14-7-5-4-6-8-14)16-10-9-13(17)12-15(16)18/h4-10,12H,2-3,11H2,1H3
InChIKeyYVGBXFJTSHKSQR-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.90
Rot. Bonds5

About N-butyl-2,4-difluoro-N-phenylaniline

N-butyl-2,4-difluoro-N-phenylaniline (PubChem CID 68652325) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is N-butyl-2,4-difluoro-N-phenylaniline.

Molecular Properties

Compound NameN-butyl-2,4-difluoro-N-phenylaniline
PubChem CID68652325
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC NameN-butyl-2,4-difluoro-N-phenylaniline
SMILESCCCCN(c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C16H17F2N/c1-2-3-11-19(14-7-5-4-6-8-14)16-10-9-13(17)12-15(16)18/h4-10,12H,2-3,11H2,1H3
InChIKeyYVGBXFJTSHKSQR-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline
CID 64585981
1-[2-(N-butylanilino)-5-fluorophenyl]ethanone
CID 64584619
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
4-(aminomethyl)-N-butyl-3-fluoro-N-phenylaniline
CID 115366899
N-butyl-N-(2,4-difluorophenyl)benzamide;titanium
CID 174382924
2-(bromomethyl)-N-butyl-4-chloro-N-phenylaniline
CID 107084108
2,4-difluoro-N-hexyl-N-nonylaniline
CID 22637380
1-[2-(N-butylanilino)-6-fluorophenyl]ethanone
CID 64584809
1,4-bis(N-butylanilino)anthracene-9,10-dione
CID 71392978
2-(N-butylanilino)-5-methylbenzoic acid
CID 64586948
2-(N-butylanilino)benzoic acid
CID 64586364
2-(bromomethyl)-N-ethyl-4-fluoro-N-phenylaniline
CID 107079476

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,4-difluoro-N-phenylaniline?
The IUPAC name of N-butyl-2,4-difluoro-N-phenylaniline (CID 68652325) is N-butyl-2,4-difluoro-N-phenylaniline.
What is the SMILES notation for N-butyl-2,4-difluoro-N-phenylaniline?
The canonical SMILES for N-butyl-2,4-difluoro-N-phenylaniline is CCCCN(c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of N-butyl-2,4-difluoro-N-phenylaniline?
The InChIKey is YVGBXFJTSHKSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-2-3-11-19(14-7-5-4-6-8-14)16-10-9-13(17)12-15(16)18/h4-10,12H,2-3,11H2,1H3.
What are the key properties of N-butyl-2,4-difluoro-N-phenylaniline?
N-butyl-2,4-difluoro-N-phenylaniline has a molecular weight of 261.31 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,4-difluoro-N-phenylaniline is sourced from PubChem (CID 68652325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).