4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline

C14H24N2O — CID 113305256

IUPAC4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline
SMILESCOc1ccc(N)c(CN(C)C(C)C(C)C)c1
InChIInChI=1S/C14H24N2O/c1-10(2)11(3)16(4)9-12-8-13(17-5)6-7-14(12)15/h6-8,10-11H,9,15H2,1-5H3
InChIKeyRJOCDABNEPVBLK-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.75
Rot. Bonds5

About 4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline

4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline (PubChem CID 113305256) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline
PubChem CID113305256
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline
SMILESCOc1ccc(N)c(CN(C)C(C)C(C)C)c1
InChIInChI=1S/C14H24N2O/c1-10(2)11(3)16(4)9-12-8-13(17-5)6-7-14(12)15/h6-8,10-11H,9,15H2,1-5H3
InChIKeyRJOCDABNEPVBLK-UHFFFAOYSA-N
XLogP2.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline
CID 115413765
N'-[(2-amino-5-methoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 115414152
1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 43570017
4-(2-amino-5-methoxyphenyl)butan-2-ol
CID 23434309
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137582
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977656
N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569669
2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 113305134
4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline
CID 125458342
3-fluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline
CID 64769432
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline?
The IUPAC name of 4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline (CID 113305256) is 4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline.
What is the SMILES notation for 4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline?
The canonical SMILES for 4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline is COc1ccc(N)c(CN(C)C(C)C(C)C)c1.
What is the InChIKey of 4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline?
The InChIKey is RJOCDABNEPVBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)11(3)16(4)9-12-8-13(17-5)6-7-14(12)15/h6-8,10-11H,9,15H2,1-5H3.
What are the key properties of 4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline?
4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline has a molecular weight of 236.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline is sourced from PubChem (CID 113305256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).