2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline

C19H25N — CID 43759441

IUPAC2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline
SMILESCc1cc(C)c(CNc2ccccc2C(C)C)cc1C
InChIInChI=1S/C19H25N/c1-13(2)18-8-6-7-9-19(18)20-12-17-11-15(4)14(3)10-16(17)5/h6-11,13,20H,12H2,1-5H3
InChIKeySEZVGLWTZYVXOG-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.35
Rot. Bonds4

About 2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline

2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline (PubChem CID 43759441) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline
PubChem CID43759441
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline
SMILESCc1cc(C)c(CNc2ccccc2C(C)C)cc1C
InChIInChI=1S/C19H25N/c1-13(2)18-8-6-7-9-19(18)20-12-17-11-15(4)14(3)10-16(17)5/h6-11,13,20H,12H2,1-5H3
InChIKeySEZVGLWTZYVXOG-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylsulfonyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43786959
N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754
3-bromo-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107630419
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-propan-2-ylaniline
CID 43393522
2-[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide
CID 43789637
4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43760581
2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol
CID 61390242
N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline
CID 28542068
2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile
CID 107803442
1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol
CID 111432948
N-(2,3-dimethylbutyl)-2-propan-2-ylaniline
CID 150228795
N-(2-chloroethyl)-2-propan-2-ylaniline
CID 82112244

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The IUPAC name of 2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline (CID 43759441) is 2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline.
What is the SMILES notation for 2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The canonical SMILES for 2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline is Cc1cc(C)c(CNc2ccccc2C(C)C)cc1C.
What is the InChIKey of 2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The InChIKey is SEZVGLWTZYVXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-13(2)18-8-6-7-9-19(18)20-12-17-11-15(4)14(3)10-16(17)5/h6-11,13,20H,12H2,1-5H3.
What are the key properties of 2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline has a molecular weight of 267.42 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline is sourced from PubChem (CID 43759441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).