ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline

C18H26FN — CID 144852270

IUPACethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline
SMILESCC.CC.Cc1ccc(-c2ccc(C)c(F)c2)c(N)c1
InChIInChI=1S/C14H14FN.2C2H6/c1-9-3-6-12(14(16)7-9)11-5-4-10(2)13(15)8-11;2*1-2/h3-8H,16H2,1-2H3;2*1-2H3
InChIKeySUKKMWOWYZXNDG-UHFFFAOYSA-N
MW275.41 g/mol
LogP5.74
Rot. Bonds1

About ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline

ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline (PubChem CID 144852270) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline.

Molecular Properties

Compound Nameethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline
PubChem CID144852270
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC Nameethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline
SMILESCC.CC.Cc1ccc(-c2ccc(C)c(F)c2)c(N)c1
InChIInChI=1S/C14H14FN.2C2H6/c1-9-3-6-12(14(16)7-9)11-5-4-10(2)13(15)8-11;2*1-2/h3-8H,16H2,1-2H3;2*1-2H3
InChIKeySUKKMWOWYZXNDG-UHFFFAOYSA-N
XLogP5.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.41
LogP ≤ 55.74
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-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline
CID 107289642
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;2-fluoro-1-methyl-4-(4-methylphenyl)benzene;2-fluoro-4-methyl-1-(4-methylphenyl)benzene
CID 144612336
2-(3-fluoro-4-methylphenyl)-4-methylphenol
CID 83129977
4-chloro-2-(3-fluoro-4-methylphenyl)aniline
CID 115502446
carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium
CID 159178199
5-methyl-2-(2,4,5-trifluorophenyl)aniline
CID 82766150
4-(2-fluoro-5-methylphenyl)-2-methylaniline
CID 61026096
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene
CID 159574523
ethane;2-fluoro-1,4-dimethylbenzene;propane
CID 144971037

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline?
The IUPAC name of ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline (CID 144852270) is ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline.
What is the SMILES notation for ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline?
The canonical SMILES for ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline is CC.CC.Cc1ccc(-c2ccc(C)c(F)c2)c(N)c1.
What is the InChIKey of ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline?
The InChIKey is SUKKMWOWYZXNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN.2C2H6/c1-9-3-6-12(14(16)7-9)11-5-4-10(2)13(15)8-11;2*1-2/h3-8H,16H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline?
ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline has a molecular weight of 275.41 g/mol, XLogP of 5.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline is sourced from PubChem (CID 144852270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).