4-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)methoxy]methyl]-N,N-dimethylaniline

C25H30N2O2 — CID 154413110

IUPAC4-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)methoxy]methyl]-N,N-dimethylaniline
SMILESCOc1ccc(COC(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H30N2O2/c1-26(2)22-12-8-20(9-13-22)25(21-10-14-23(15-11-21)27(3)4)29-18-19-6-16-24(28-5)17-7-19/h6-17,25H,18H2,1-5H3
InChIKeyJAQYFQBLBAJQAE-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.13
Rot. Bonds8

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

4-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)methoxy]methyl]-N,N-dimethylaniline (PubChem CID 154413110) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)methoxy]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)methoxy]methyl]-N,N-dimethylaniline
PubChem CID154413110
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name4-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)methoxy]methyl]-N,N-dimethylaniline
SMILESCOc1ccc(COC(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H30N2O2/c1-26(2)22-12-8-20(9-13-22)25(21-10-14-23(15-11-21)27(3)4)29-18-19-6-16-24(28-5)17-7-19/h6-17,25H,18H2,1-5H3
InChIKeyJAQYFQBLBAJQAE-UHFFFAOYSA-N
XLogP5.13
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.13
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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Related Compounds

1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270
4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline
CID 18998086
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
CID 142497579
(S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863286
2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 10669
(Z,4R)-5,5-bis[4-(dimethylamino)phenyl]-4-(4-methoxyphenyl)-2-methylpent-2-enal
CID 177406918
1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene
CID 146253972
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
N-[[4-(dimethylamino)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]carbamoyl chloride
CID 164739560

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)methoxy]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)methoxy]methyl]-N,N-dimethylaniline (CID 154413110) is 4-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)methoxy]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)methoxy]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)methoxy]methyl]-N,N-dimethylaniline is COc1ccc(COC(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)methoxy]methyl]-N,N-dimethylaniline?
The InChIKey is JAQYFQBLBAJQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-26(2)22-12-8-20(9-13-22)25(21-10-14-23(15-11-21)27(3)4)29-18-19-6-16-24(28-5)17-7-19/h6-17,25H,18H2,1-5H3.
What are the key properties of 4-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)methoxy]methyl]-N,N-dimethylaniline?
4-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)methoxy]methyl]-N,N-dimethylaniline has a molecular weight of 390.53 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)methoxy]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 154413110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).