N-[(2,3,5,6-tetramethylphenyl)methyl]aniline

C17H21N — CID 82129879

IUPACN-[(2,3,5,6-tetramethylphenyl)methyl]aniline
SMILESCc1cc(C)c(C)c(CNc2ccccc2)c1C
InChIInChI=1S/C17H21N/c1-12-10-13(2)15(4)17(14(12)3)11-18-16-8-6-5-7-9-16/h5-10,18H,11H2,1-4H3
InChIKeyYUTXUVQWTFAHBR-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.53
Rot. Bonds3

About N-[(2,3,5,6-tetramethylphenyl)methyl]aniline

N-[(2,3,5,6-tetramethylphenyl)methyl]aniline (PubChem CID 82129879) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(2,3,5,6-tetramethylphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(2,3,5,6-tetramethylphenyl)methyl]aniline
PubChem CID82129879
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-[(2,3,5,6-tetramethylphenyl)methyl]aniline
SMILESCc1cc(C)c(C)c(CNc2ccccc2)c1C
InChIInChI=1S/C17H21N/c1-12-10-13(2)15(4)17(14(12)3)11-18-16-8-6-5-7-9-16/h5-10,18H,11H2,1-4H3
InChIKeyYUTXUVQWTFAHBR-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-difluoro-4-methylphenyl)methyl]aniline
CID 123267459
N-[(4-bromo-3-methylphenyl)methyl]aniline
CID 66472770
1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene
CID 590366
3-(anilinomethyl)-4,5-dimethylfuran-2-carbaldehyde
CID 87818417
N-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]aniline
CID 58087269
CID 163931246
CID 163931246
N-[(3,5-dichloro-4-pyridinyl)methyl]aniline
CID 141060907
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid
CID 82494307
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen
CID 168878317

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,5,6-tetramethylphenyl)methyl]aniline?
The IUPAC name of N-[(2,3,5,6-tetramethylphenyl)methyl]aniline (CID 82129879) is N-[(2,3,5,6-tetramethylphenyl)methyl]aniline.
What is the SMILES notation for N-[(2,3,5,6-tetramethylphenyl)methyl]aniline?
The canonical SMILES for N-[(2,3,5,6-tetramethylphenyl)methyl]aniline is Cc1cc(C)c(C)c(CNc2ccccc2)c1C.
What is the InChIKey of N-[(2,3,5,6-tetramethylphenyl)methyl]aniline?
The InChIKey is YUTXUVQWTFAHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-12-10-13(2)15(4)17(14(12)3)11-18-16-8-6-5-7-9-16/h5-10,18H,11H2,1-4H3.
What are the key properties of N-[(2,3,5,6-tetramethylphenyl)methyl]aniline?
N-[(2,3,5,6-tetramethylphenyl)methyl]aniline has a molecular weight of 239.36 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,5,6-tetramethylphenyl)methyl]aniline is sourced from PubChem (CID 82129879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).