N-(3-ethyl-5-methylphenyl)-3-methoxy-4-methylaniline

C17H21NO — CID 20671206

IUPACN-(3-ethyl-5-methylphenyl)-3-methoxy-4-methylaniline
SMILESCCc1cc(C)cc(Nc2ccc(C)c(OC)c2)c1
InChIInChI=1S/C17H21NO/c1-5-14-8-12(2)9-16(10-14)18-15-7-6-13(3)17(11-15)19-4/h6-11,18H,5H2,1-4H3
InChIKeyOWNWTKYLDBWUKE-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.62
Rot. Bonds4

About N-(3-ethyl-5-methylphenyl)-3-methoxy-4-methylaniline

N-(3-ethyl-5-methylphenyl)-3-methoxy-4-methylaniline (PubChem CID 20671206) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(3-ethyl-5-methylphenyl)-3-methoxy-4-methylaniline.

Molecular Properties

Compound NameN-(3-ethyl-5-methylphenyl)-3-methoxy-4-methylaniline
PubChem CID20671206
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-(3-ethyl-5-methylphenyl)-3-methoxy-4-methylaniline
SMILESCCc1cc(C)cc(Nc2ccc(C)c(OC)c2)c1
InChIInChI=1S/C17H21NO/c1-5-14-8-12(2)9-16(10-14)18-15-7-6-13(3)17(11-15)19-4/h6-11,18H,5H2,1-4H3
InChIKeyOWNWTKYLDBWUKE-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide
CID 110179860
1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62911783
4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232144
3-methoxy-4-methyl-N-phenylaniline;4-methylbenzenesulfonic acid
CID 91301925
3-methoxy-4-methyl-N-phenylaniline;oxido sulfite
CID 91481114
4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43436308
3-ethyl-N-(4-methylphenyl)aniline
CID 139833776
ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 142828358
3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 58748362
N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117276489
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
4-methoxy-3-methyl-N-phenylaniline
CID 23635969

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5-methylphenyl)-3-methoxy-4-methylaniline?
The IUPAC name of N-(3-ethyl-5-methylphenyl)-3-methoxy-4-methylaniline (CID 20671206) is N-(3-ethyl-5-methylphenyl)-3-methoxy-4-methylaniline.
What is the SMILES notation for N-(3-ethyl-5-methylphenyl)-3-methoxy-4-methylaniline?
The canonical SMILES for N-(3-ethyl-5-methylphenyl)-3-methoxy-4-methylaniline is CCc1cc(C)cc(Nc2ccc(C)c(OC)c2)c1.
What is the InChIKey of N-(3-ethyl-5-methylphenyl)-3-methoxy-4-methylaniline?
The InChIKey is OWNWTKYLDBWUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-5-14-8-12(2)9-16(10-14)18-15-7-6-13(3)17(11-15)19-4/h6-11,18H,5H2,1-4H3.
What are the key properties of N-(3-ethyl-5-methylphenyl)-3-methoxy-4-methylaniline?
N-(3-ethyl-5-methylphenyl)-3-methoxy-4-methylaniline has a molecular weight of 255.36 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5-methylphenyl)-3-methoxy-4-methylaniline is sourced from PubChem (CID 20671206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).