4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline

C30H32N2O — CID 102127317

IUPAC4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(OC(c2ccccc2)c2ccc(N(C)C)cc2)c2ccccc2)cc1
InChIInChI=1S/C30H32N2O/c1-31(2)27-19-15-25(16-20-27)29(23-11-7-5-8-12-23)33-30(24-13-9-6-10-14-24)26-17-21-28(22-18-26)32(3)4/h5-22,29-30H,1-4H3
InChIKeyCCXLJTJZIJEGGL-UHFFFAOYSA-N
MW436.60 g/mol
LogP6.71
Rot. Bonds8

About 4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline

4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline (PubChem CID 102127317) has the molecular formula C30H32N2O and a molecular weight of 436.60 g/mol. Its IUPAC name is 4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline
PubChem CID102127317
Molecular FormulaC30H32N2O
Molecular Weight436.60 g/mol
Exact Mass436.25
IUPAC Name4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(OC(c2ccccc2)c2ccc(N(C)C)cc2)c2ccccc2)cc1
InChIInChI=1S/C30H32N2O/c1-31(2)27-19-15-25(16-20-27)29(23-11-7-5-8-12-23)33-30(24-13-9-6-10-14-24)26-17-21-28(22-18-26)32(3)4/h5-22,29-30H,1-4H3
InChIKeyCCXLJTJZIJEGGL-UHFFFAOYSA-N
XLogP6.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[buta-1,3-dienoxy(phenyl)methyl]-N,N-dimethylaniline
CID 118966147
N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline
CID 115970393
4-[(4-iodophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 138551235
N,N-dimethylaniline
CID 70392672
4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 22115274
4-[[[4-(diethylamino)-3-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-2-methylaniline
CID 67688961
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400
CID 69241188
CID 69241188
N,N-dimethylaniline;osmium(4+)
CID 172845967

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline (CID 102127317) is 4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline is CN(C)c1ccc(C(OC(c2ccccc2)c2ccc(N(C)C)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline?
The InChIKey is CCXLJTJZIJEGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O/c1-31(2)27-19-15-25(16-20-27)29(23-11-7-5-8-12-23)33-30(24-13-9-6-10-14-24)26-17-21-28(22-18-26)32(3)4/h5-22,29-30H,1-4H3.
What are the key properties of 4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline?
4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline has a molecular weight of 436.60 g/mol, XLogP of 6.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 102127317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).