2,5-difluoro-4-[4-(2-methylpropyl)phenyl]aniline

C16H17F2N — CID 107616154

IUPAC2,5-difluoro-4-[4-(2-methylpropyl)phenyl]aniline
SMILESCC(C)Cc1ccc(-c2cc(F)c(N)cc2F)cc1
InChIInChI=1S/C16H17F2N/c1-10(2)7-11-3-5-12(6-4-11)13-8-15(18)16(19)9-14(13)17/h3-6,8-10H,7,19H2,1-2H3
InChIKeyPBVBRIBEKUIZSJ-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.41
Rot. Bonds3

About 2,5-difluoro-4-[4-(2-methylpropyl)phenyl]aniline

2,5-difluoro-4-[4-(2-methylpropyl)phenyl]aniline (PubChem CID 107616154) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 2,5-difluoro-4-[4-(2-methylpropyl)phenyl]aniline.

Molecular Properties

Compound Name2,5-difluoro-4-[4-(2-methylpropyl)phenyl]aniline
PubChem CID107616154
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name2,5-difluoro-4-[4-(2-methylpropyl)phenyl]aniline
SMILESCC(C)Cc1ccc(-c2cc(F)c(N)cc2F)cc1
InChIInChI=1S/C16H17F2N/c1-10(2)7-11-3-5-12(6-4-11)13-8-15(18)16(19)9-14(13)17/h3-6,8-10H,7,19H2,1-2H3
InChIKeyPBVBRIBEKUIZSJ-UHFFFAOYSA-N
XLogP4.41
TPSA26.02 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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,5-difluoro-4-(4-phenylphenyl)aniline
CID 107615842
2,5-difluoro-4-[1-(2-methylpropyl)pyrazol-4-yl]aniline
CID 175670006
N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]propan-2-amine
CID 115503150
11,31,45,55-tetrafluoroundecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene
CID 140924255
3-fluoro-4-[3-(2-methylpropyl)phenyl]aniline
CID 116545257
5-fluoro-2-[4-(2-methylpropyl)phenyl]benzonitrile
CID 166549498
[4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine
CID 116545403
5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423881
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401
[4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine
CID 172652225
2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423882
[2-methyl-4-[4-(2-methylpropyl)phenyl]phenyl]methanol
CID 172652299

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[4-(2-methylpropyl)phenyl]aniline?
The IUPAC name of 2,5-difluoro-4-[4-(2-methylpropyl)phenyl]aniline (CID 107616154) is 2,5-difluoro-4-[4-(2-methylpropyl)phenyl]aniline.
What is the SMILES notation for 2,5-difluoro-4-[4-(2-methylpropyl)phenyl]aniline?
The canonical SMILES for 2,5-difluoro-4-[4-(2-methylpropyl)phenyl]aniline is CC(C)Cc1ccc(-c2cc(F)c(N)cc2F)cc1.
What is the InChIKey of 2,5-difluoro-4-[4-(2-methylpropyl)phenyl]aniline?
The InChIKey is PBVBRIBEKUIZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-10(2)7-11-3-5-12(6-4-11)13-8-15(18)16(19)9-14(13)17/h3-6,8-10H,7,19H2,1-2H3.
What are the key properties of 2,5-difluoro-4-[4-(2-methylpropyl)phenyl]aniline?
2,5-difluoro-4-[4-(2-methylpropyl)phenyl]aniline has a molecular weight of 261.31 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[4-(2-methylpropyl)phenyl]aniline is sourced from PubChem (CID 107616154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).