N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dimethylaniline

C18H23NO — CID 743638

IUPACN-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
SMILESCOc1cc(C)c(CNc2cc(C)cc(C)c2)cc1C
InChIInChI=1S/C18H23NO/c1-12-6-13(2)8-17(7-12)19-11-16-9-15(4)18(20-5)10-14(16)3/h6-10,19H,11H2,1-5H3
InChIKeyTUKMUJPXBCVRCZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.54
Rot. Bonds4

About N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dimethylaniline

N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dimethylaniline (PubChem CID 743638) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
PubChem CID743638
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
SMILESCOc1cc(C)c(CNc2cc(C)cc(C)c2)cc1C
InChIInChI=1S/C18H23NO/c1-12-6-13(2)8-17(7-12)19-11-16-9-15(4)18(20-5)10-14(16)3/h6-10,19H,11H2,1-5H3
InChIKeyTUKMUJPXBCVRCZ-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dimethylaniline?
The IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dimethylaniline (CID 743638) is N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dimethylaniline?
The canonical SMILES for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dimethylaniline is COc1cc(C)c(CNc2cc(C)cc(C)c2)cc1C.
What is the InChIKey of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dimethylaniline?
The InChIKey is TUKMUJPXBCVRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-6-13(2)8-17(7-12)19-11-16-9-15(4)18(20-5)10-14(16)3/h6-10,19H,11H2,1-5H3.
What are the key properties of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dimethylaniline?
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dimethylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dimethylaniline is sourced from PubChem (CID 743638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).