4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline

C18H23NO2 — CID 43716780

IUPAC4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
SMILESCOc1cc(C)c(NC(C)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H23NO2/c1-12-6-8-15(9-7-12)14(3)19-16-11-18(21-5)17(20-4)10-13(16)2/h6-11,14,19H,1-5H3
InChIKeyRXZWTJONVZOJBQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.49
Rot. Bonds5

About 4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline

4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline (PubChem CID 43716780) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
PubChem CID43716780
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
SMILESCOc1cc(C)c(NC(C)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H23NO2/c1-12-6-8-15(9-7-12)14(3)19-16-11-18(21-5)17(20-4)10-13(16)2/h6-11,14,19H,1-5H3
InChIKeyRXZWTJONVZOJBQ-UHFFFAOYSA-N
XLogP4.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline
CID 43225074
2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol
CID 106953903
4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 63449951
5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43102806
2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine
CID 115554734
4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620
N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline
CID 43110887
2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43196651
2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine
CID 103388458
4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 55086474
N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
CID 43078754
methyl 2-(4,5-dimethoxy-2-methylanilino)propanoate
CID 60666932

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
The IUPAC name of 4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline (CID 43716780) is 4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline.
What is the SMILES notation for 4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
The canonical SMILES for 4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline is COc1cc(C)c(NC(C)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
The InChIKey is RXZWTJONVZOJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-6-8-15(9-7-12)14(3)19-16-11-18(21-5)17(20-4)10-13(16)2/h6-11,14,19H,1-5H3.
What are the key properties of 4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline is sourced from PubChem (CID 43716780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).