N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline

C18H23N — CID 55191577

IUPACN-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCc2cccc(C)c2C)c(C)c1
InChIInChI=1S/C18H23N/c1-12-9-14(3)18(15(4)10-12)19-11-17-8-6-7-13(2)16(17)5/h6-10,19H,11H2,1-5H3
InChIKeyXFTHRQSHQGFQHF-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.84
Rot. Bonds3

About N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline

N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline (PubChem CID 55191577) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline
PubChem CID55191577
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCc2cccc(C)c2C)c(C)c1
InChIInChI=1S/C18H23N/c1-12-9-14(3)18(15(4)10-12)19-11-17-8-6-7-13(2)16(17)5/h6-10,19H,11H2,1-5H3
InChIKeyXFTHRQSHQGFQHF-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-tribromo-N-[(2,3-dimethylphenyl)methyl]aniline
CID 63425775
N-[(2,3-dimethylphenyl)methyl]-2-methylaniline
CID 54944772
4-bromo-N-[(2,3-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 107572266
3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline
CID 55198820
2-[(2,6-dimethylanilino)methyl]phenol
CID 4863460
N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 60760457
N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline
CID 114254476
N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline
CID 62809302
N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline
CID 55197489
N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline
CID 63448392
5,7-dichloro-N-[(2,3-dimethylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 63447211
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2,4,6-trimethylaniline
CID 39422606

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline (CID 55191577) is N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline is Cc1cc(C)c(NCc2cccc(C)c2C)c(C)c1.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline?
The InChIKey is XFTHRQSHQGFQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-12-9-14(3)18(15(4)10-12)19-11-17-8-6-7-13(2)16(17)5/h6-10,19H,11H2,1-5H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline?
N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline has a molecular weight of 253.39 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 55191577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).