4-[(4-methoxyphenyl)methyl]-N,N-dimethylaniline

C16H19NO — CID 15419128

IUPAC4-[(4-methoxyphenyl)methyl]-N,N-dimethylaniline
SMILESCOc1ccc(Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H19NO/c1-17(2)15-8-4-13(5-9-15)12-14-6-10-16(18-3)11-7-14/h4-11H,12H2,1-3H3
InChIKeyJWOLDPBVODTLBN-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.35
Rot. Bonds4

About 4-[(4-methoxyphenyl)methyl]-N,N-dimethylaniline

4-[(4-methoxyphenyl)methyl]-N,N-dimethylaniline (PubChem CID 15419128) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-N,N-dimethylaniline
PubChem CID15419128
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-[(4-methoxyphenyl)methyl]-N,N-dimethylaniline
SMILESCOc1ccc(Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H19NO/c1-17(2)15-8-4-13(5-9-15)12-14-6-10-16(18-3)11-7-14/h4-11H,12H2,1-3H3
InChIKeyJWOLDPBVODTLBN-UHFFFAOYSA-N
XLogP3.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-N,N-dimethylaniline (CID 15419128) is 4-[(4-methoxyphenyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-N,N-dimethylaniline is COc1ccc(Cc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-N,N-dimethylaniline?
The InChIKey is JWOLDPBVODTLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-17(2)15-8-4-13(5-9-15)12-14-6-10-16(18-3)11-7-14/h4-11H,12H2,1-3H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-N,N-dimethylaniline?
4-[(4-methoxyphenyl)methyl]-N,N-dimethylaniline has a molecular weight of 241.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 15419128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).