4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline

C27H34N2O2 — CID 18998086

IUPAC4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline
SMILESCCN(CC)c1ccc(C(OCc2ccccc2)c2ccc(N(C)C)cc2)c(OC)c1
InChIInChI=1S/C27H34N2O2/c1-6-29(7-2)24-17-18-25(26(19-24)30-5)27(31-20-21-11-9-8-10-12-21)22-13-15-23(16-14-22)28(3)4/h8-19,27H,6-7,20H2,1-5H3
InChIKeyXWVXFUQTMAVBQQ-UHFFFAOYSA-N
MW418.58 g/mol
LogP5.91
Rot. Bonds10

About 4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline

4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline (PubChem CID 18998086) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline
PubChem CID18998086
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC Name4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline
SMILESCCN(CC)c1ccc(C(OCc2ccccc2)c2ccc(N(C)C)cc2)c(OC)c1
InChIInChI=1S/C27H34N2O2/c1-6-29(7-2)24-17-18-25(26(19-24)30-5)27(31-20-21-11-9-8-10-12-21)22-13-15-23(16-14-22)28(3)4/h8-19,27H,6-7,20H2,1-5H3
InChIKeyXWVXFUQTMAVBQQ-UHFFFAOYSA-N
XLogP5.91
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline (CID 18998086) is 4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline is CCN(CC)c1ccc(C(OCc2ccccc2)c2ccc(N(C)C)cc2)c(OC)c1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline?
The InChIKey is XWVXFUQTMAVBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2/c1-6-29(7-2)24-17-18-25(26(19-24)30-5)27(31-20-21-11-9-8-10-12-21)22-13-15-23(16-14-22)28(3)4/h8-19,27H,6-7,20H2,1-5H3.
What are the key properties of 4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline?
4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline has a molecular weight of 418.58 g/mol, XLogP of 5.91, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline is sourced from PubChem (CID 18998086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).