N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline

C19H25N — CID 28524513

IUPACN-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C19H25N/c1-14-6-11-18(12-15(14)2)20-13-16-7-9-17(10-8-16)19(3,4)5/h6-12,20H,13H2,1-5H3
InChIKeyJQCUOSAGVIXZGW-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.21
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline

N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline (PubChem CID 28524513) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline
PubChem CID28524513
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C19H25N/c1-14-6-11-18(12-15(14)2)20-13-16-7-9-17(10-8-16)19(3,4)5/h6-12,20H,13H2,1-5H3
InChIKeyJQCUOSAGVIXZGW-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43758536
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241
4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide
CID 60961314
N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764440
4-[(4-tert-butylphenyl)methylamino]-2-chlorophenol
CID 107678593
N-[(4-tert-butylphenyl)methyl]aniline
CID 15903167
4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
CID 65479215
N-(furan-3-ylmethyl)-3,4-dimethylaniline
CID 63204332
N-[(4-tert-butylphenyl)methyl]-1,3-benzodioxol-5-amine
CID 4789444
N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 81144106
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126125185
CID 67562885
CID 67562885

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline (CID 28524513) is N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline is Cc1ccc(NCc2ccc(C(C)(C)C)cc2)cc1C.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline?
The InChIKey is JQCUOSAGVIXZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-14-6-11-18(12-15(14)2)20-13-16-7-9-17(10-8-16)19(3,4)5/h6-12,20H,13H2,1-5H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline?
N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline has a molecular weight of 267.42 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline is sourced from PubChem (CID 28524513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).