4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline

C18H23NO — CID 63455858

IUPAC4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
SMILESCOc1ccc(NCc2cc(C)c(C)cc2C)cc1C
InChIInChI=1S/C18H23NO/c1-12-8-14(3)16(9-13(12)2)11-19-17-6-7-18(20-5)15(4)10-17/h6-10,19H,11H2,1-5H3
InChIKeyBTNQKGLHAPPZLD-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.54
Rot. Bonds4

About 4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline

4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline (PubChem CID 63455858) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
PubChem CID63455858
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
SMILESCOc1ccc(NCc2cc(C)c(C)cc2C)cc1C
InChIInChI=1S/C18H23NO/c1-12-8-14(3)16(9-13(12)2)11-19-17-6-7-18(20-5)15(4)10-17/h6-10,19H,11H2,1-5H3
InChIKeyBTNQKGLHAPPZLD-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-3-methylaniline
CID 115967998
4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107621318
4-[(4-methoxy-3-methylanilino)methyl]benzene-1,2,3-triol
CID 103952978
N-[(2,5-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 791602
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
3-iodo-4-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43784979
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzonitrile
CID 102664295
4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline
CID 61059321
N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline
CID 61059640
4-methoxy-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 61059029

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The IUPAC name of 4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline (CID 63455858) is 4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline.
What is the SMILES notation for 4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The canonical SMILES for 4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline is COc1ccc(NCc2cc(C)c(C)cc2C)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The InChIKey is BTNQKGLHAPPZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-8-14(3)16(9-13(12)2)11-19-17-6-7-18(20-5)15(4)10-17/h6-10,19H,11H2,1-5H3.
What are the key properties of 4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline is sourced from PubChem (CID 63455858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).