N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline

C19H25NO — CID 63451276

IUPACN-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25NO/c1-14-6-11-17(18(12-14)21-5)20-13-15-7-9-16(10-8-15)19(2,3)4/h6-12,20H,13H2,1-5H3
InChIKeyYUWILQCNMHPTAI-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.91
Rot. Bonds4

About N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline

N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline (PubChem CID 63451276) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline
PubChem CID63451276
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25NO/c1-14-6-11-17(18(12-14)21-5)20-13-15-7-9-16(10-8-15)19(2,3)4/h6-12,20H,13H2,1-5H3
InChIKeyYUWILQCNMHPTAI-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline
CID 103852096
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
CID 55040204
2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 60931237
4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol
CID 60931109
1-[(4-tert-butylphenyl)methyl]-3-(2-methoxy-4-methylphenyl)-1-[(4-methoxyphenyl)methyl]thiourea
CID 4681952
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
CID 60931979
2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096342
2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 61211307

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline (CID 63451276) is N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline is COc1cc(C)ccc1NCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline?
The InChIKey is YUWILQCNMHPTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-6-11-17(18(12-14)21-5)20-13-15-7-9-16(10-8-15)19(2,3)4/h6-12,20H,13H2,1-5H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline?
N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline has a molecular weight of 283.42 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline is sourced from PubChem (CID 63451276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).