5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline

C16H19NO — CID 82044512

IUPAC5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline
SMILESCOc1ccc(C)cc1Cc1ccc(C)c(N)c1
InChIInChI=1S/C16H19NO/c1-11-4-7-16(18-3)14(8-11)9-13-6-5-12(2)15(17)10-13/h4-8,10H,9,17H2,1-3H3
InChIKeyNDWRNWUJLRPSHC-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.49
Rot. Bonds3

About 5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline

5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline (PubChem CID 82044512) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline
PubChem CID82044512
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline
SMILESCOc1ccc(C)cc1Cc1ccc(C)c(N)c1
InChIInChI=1S/C16H19NO/c1-11-4-7-16(18-3)14(8-11)9-13-6-5-12(2)15(17)10-13/h4-8,10H,9,17H2,1-3H3
InChIKeyNDWRNWUJLRPSHC-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 39359260
1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116551055
1-(3,4-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 62899800
2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline
CID 39349080
4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline
CID 62155640
6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63970758
3-[(2-methoxy-5-methylphenyl)methyl]benzoic acid
CID 116927115
[5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
CID 65340174
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338540
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-4-methylaniline
CID 79142232
1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 62912994

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline?
The IUPAC name of 5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline (CID 82044512) is 5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline.
What is the SMILES notation for 5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline?
The canonical SMILES for 5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline is COc1ccc(C)cc1Cc1ccc(C)c(N)c1.
What is the InChIKey of 5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline?
The InChIKey is NDWRNWUJLRPSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11-4-7-16(18-3)14(8-11)9-13-6-5-12(2)15(17)10-13/h4-8,10H,9,17H2,1-3H3.
What are the key properties of 5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline?
5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline has a molecular weight of 241.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 82044512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).