ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline

C18H25N — CID 142266780

IUPACethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline
SMILESCC.CCN(c1cccc(C)c1)c1ccccc1C
InChIInChI=1S/C16H19N.C2H6/c1-4-17(15-10-7-8-13(2)12-15)16-11-6-5-9-14(16)3;1-2/h5-12H,4H2,1-3H3;1-2H3
InChIKeyFXOJGYNVUBFFKW-UHFFFAOYSA-N
MW255.40 g/mol
LogP5.49
Rot. Bonds3

About ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline

ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline (PubChem CID 142266780) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline.

Molecular Properties

Compound Nameethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline
PubChem CID142266780
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Nameethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline
SMILESCC.CCN(c1cccc(C)c1)c1ccccc1C
InChIInChI=1S/C16H19N.C2H6/c1-4-17(15-10-7-8-13(2)12-15)16-11-6-5-9-14(16)3;1-2/h5-12H,4H2,1-3H3;1-2H3
InChIKeyFXOJGYNVUBFFKW-UHFFFAOYSA-N
XLogP5.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.40
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(bromomethyl)-N-ethyl-N-(3-methylphenyl)aniline
CID 107080798
2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol
CID 95473071
2-(N-ethyl-3-methylanilino)benzenecarboximidamide
CID 61075693
2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 115554643
2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile
CID 79512628
2-amino-3-(N-ethyl-3-methylanilino)benzonitrile
CID 104716397
2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde
CID 114054158
2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline
CID 139772462
N-(4-tert-butylphenyl)-N-ethyl-2-methylaniline
CID 142467015
(1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol
CID 63371105
2-(N-ethyl-3-methylanilino)-6-fluorobenzoic acid
CID 79523101
ethane;3-methyl-N,N-diphenylaniline
CID 145208007

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline?
The IUPAC name of ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline (CID 142266780) is ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline.
What is the SMILES notation for ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline?
The canonical SMILES for ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline is CC.CCN(c1cccc(C)c1)c1ccccc1C.
What is the InChIKey of ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline?
The InChIKey is FXOJGYNVUBFFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N.C2H6/c1-4-17(15-10-7-8-13(2)12-15)16-11-6-5-9-14(16)3;1-2/h5-12H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline?
ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline has a molecular weight of 255.40 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline is sourced from PubChem (CID 142266780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).