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

C19H25N — CID 43758536

IUPAC4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C19H25N/c1-14-6-7-16(12-15(14)2)13-20-18-10-8-17(9-11-18)19(3,4)5/h6-12,20H,13H2,1-5H3
InChIKeyCEDZESHKKIOLNX-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.21
Rot. Bonds3

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

4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline (PubChem CID 43758536) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline
PubChem CID43758536
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C19H25N/c1-14-6-7-16(12-15(14)2)13-20-18-10-8-17(9-11-18)19(3,4)5/h6-12,20H,13H2,1-5H3
InChIKeyCEDZESHKKIOLNX-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

N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline
CID 28524513
N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764440
2-[4-[(3,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43786878
N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine
CID 66349713
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81143930
N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82811109
N-[(4-tert-butylphenyl)methyl]aniline
CID 15903167
4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123846
N-[(3,4-dimethylphenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463408
N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline
CID 106816096
4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645330
5-[(3,4-dimethylphenyl)methylamino]-2-fluorobenzonitrile
CID 55057627

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline?
The IUPAC name of 4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline (CID 43758536) is 4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline.
What is the SMILES notation for 4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline?
The canonical SMILES for 4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline is Cc1ccc(CNc2ccc(C(C)(C)C)cc2)cc1C.
What is the InChIKey of 4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline?
The InChIKey is CEDZESHKKIOLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-14-6-7-16(12-15(14)2)13-20-18-10-8-17(9-11-18)19(3,4)5/h6-12,20H,13H2,1-5H3.
What are the key properties of 4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline?
4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline 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 4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline is sourced from PubChem (CID 43758536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).