4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline

C19H25NO2 — CID 39422649

IUPAC4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(C(C)(C)C)cc2)c1OC
InChIInChI=1S/C19H25NO2/c1-19(2,3)15-9-11-16(12-10-15)20-13-14-7-6-8-17(21-4)18(14)22-5/h6-12,20H,13H2,1-5H3
InChIKeyMXGRIVLCNXZRMS-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.61
Rot. Bonds5

About 4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline

4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline (PubChem CID 39422649) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline
PubChem CID39422649
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(C(C)(C)C)cc2)c1OC
InChIInChI=1S/C19H25NO2/c1-19(2,3)15-9-11-16(12-10-15)20-13-14-7-6-8-17(21-4)18(14)22-5/h6-12,20H,13H2,1-5H3
InChIKeyMXGRIVLCNXZRMS-UHFFFAOYSA-N
XLogP4.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825857
N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline
CID 18778335
N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
CID 784077
N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline
CID 62810743
N-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline
CID 39422650
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-methylaniline
CID 104938214
N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline
CID 43773219
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39455772
N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 3351558
N-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine
CID 22663940

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline?
The IUPAC name of 4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline (CID 39422649) is 4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline?
The canonical SMILES for 4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline is COc1cccc(CNc2ccc(C(C)(C)C)cc2)c1OC.
What is the InChIKey of 4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline?
The InChIKey is MXGRIVLCNXZRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-19(2,3)15-9-11-16(12-10-15)20-13-14-7-6-8-17(21-4)18(14)22-5/h6-12,20H,13H2,1-5H3.
What are the key properties of 4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline?
4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline has a molecular weight of 299.41 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline is sourced from PubChem (CID 39422649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).