4-[[[4-(diethylamino)-3-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-2-methylaniline

C40H54N4O — CID 67688961

IUPAC4-[[[4-(diethylamino)-3-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-2-methylaniline
SMILESCCN(CC)c1ccc(C(OC(c2ccc(N(C)C)cc2)c2ccc(N(CC)CC)c(C)c2)c2ccc(N(C)C)cc2)cc1C
InChIInChI=1S/C40H54N4O/c1-11-43(12-2)37-25-19-33(27-29(37)5)39(31-15-21-35(22-16-31)41(7)8)45-40(32-17-23-36(24-18-32)42(9)10)34-20-26-38(30(6)28-34)44(13-3)14-4/h15-28,39-40H,11-14H2,1-10H3
InChIKeyIZWAAADYJZJJTA-UHFFFAOYSA-N
MW606.90 g/mol
LogP9.02
Rot. Bonds14

About 4-[[[4-(diethylamino)-3-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-2-methylaniline

4-[[[4-(diethylamino)-3-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-2-methylaniline (PubChem CID 67688961) has the molecular formula C40H54N4O and a molecular weight of 606.90 g/mol. Its IUPAC name is 4-[[[4-(diethylamino)-3-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-2-methylaniline.

Molecular Properties

Compound Name4-[[[4-(diethylamino)-3-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-2-methylaniline
PubChem CID67688961
Molecular FormulaC40H54N4O
Molecular Weight606.90 g/mol
Exact Mass606.43
IUPAC Name4-[[[4-(diethylamino)-3-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-2-methylaniline
SMILESCCN(CC)c1ccc(C(OC(c2ccc(N(C)C)cc2)c2ccc(N(CC)CC)c(C)c2)c2ccc(N(C)C)cc2)cc1C
InChIInChI=1S/C40H54N4O/c1-11-43(12-2)37-25-19-33(27-29(37)5)39(31-15-21-35(22-16-31)41(7)8)45-40(32-17-23-36(24-18-32)42(9)10)34-20-26-38(30(6)28-34)44(13-3)14-4/h15-28,39-40H,11-14H2,1-10H3
InChIKeyIZWAAADYJZJJTA-UHFFFAOYSA-N
XLogP9.02
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.90
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[[4-(diethylamino)-2-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
CID 18998141
4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline
CID 102127317
4-[[4-(dimethylamino)phenyl]-[[4-(dimethylamino)phenyl]-[4-(dimethylamino)-2-propylphenyl]methoxy]methyl]-N,N-dimethyl-3-propylaniline
CID 18998049
N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline
CID 20761159
4-chloro-N,N-diethyl-2-methylaniline
CID 57028815
N,N-dibutyl-4-[[4-(dimethylamino)phenyl]-methoxymethyl]-3-methylaniline
CID 18998076
4-[[[4-(diethylamino)-2-ethoxyphenyl]-[4-(diethylamino)phenyl]methoxy]-[4-(diethylamino)phenyl]methyl]-3-ethoxy-N,N-diethylaniline
CID 18998185
4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline
CID 139775175
2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline
CID 69278893
ethyl 2-[bis[4-(dimethylamino)phenyl]methoxy]acetate
CID 131712796
4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline
CID 18998086
1-[4-(diethylamino)-3-methylphenyl]ethanone
CID 82054352

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(diethylamino)-3-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-2-methylaniline?
The IUPAC name of 4-[[[4-(diethylamino)-3-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-2-methylaniline (CID 67688961) is 4-[[[4-(diethylamino)-3-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-2-methylaniline.
What is the SMILES notation for 4-[[[4-(diethylamino)-3-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-2-methylaniline?
The canonical SMILES for 4-[[[4-(diethylamino)-3-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-2-methylaniline is CCN(CC)c1ccc(C(OC(c2ccc(N(C)C)cc2)c2ccc(N(CC)CC)c(C)c2)c2ccc(N(C)C)cc2)cc1C.
What is the InChIKey of 4-[[[4-(diethylamino)-3-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-2-methylaniline?
The InChIKey is IZWAAADYJZJJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H54N4O/c1-11-43(12-2)37-25-19-33(27-29(37)5)39(31-15-21-35(22-16-31)41(7)8)45-40(32-17-23-36(24-18-32)42(9)10)34-20-26-38(30(6)28-34)44(13-3)14-4/h15-28,39-40H,11-14H2,1-10H3.
What are the key properties of 4-[[[4-(diethylamino)-3-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-2-methylaniline?
4-[[[4-(diethylamino)-3-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-2-methylaniline has a molecular weight of 606.90 g/mol, XLogP of 9.02, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(diethylamino)-3-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-2-methylaniline is sourced from PubChem (CID 67688961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).