4-[bis[4-(diethylamino)phenyl]methyl]-3-methoxy-N,N-dimethylaniline

C30H41N3O — CID 139618070

IUPAC4-[bis[4-(diethylamino)phenyl]methyl]-3-methoxy-N,N-dimethylaniline
SMILESCCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2ccc(N(C)C)cc2OC)cc1
InChIInChI=1S/C30H41N3O/c1-8-32(9-2)25-16-12-23(13-17-25)30(24-14-18-26(19-15-24)33(10-3)11-4)28-21-20-27(31(5)6)22-29(28)34-7/h12-22,30H,8-11H2,1-7H3
InChIKeyFHXFNYBXXXPUHQ-UHFFFAOYSA-N
MW459.68 g/mol
LogP6.63
Rot. Bonds11

About 4-[bis[4-(diethylamino)phenyl]methyl]-3-methoxy-N,N-dimethylaniline

4-[bis[4-(diethylamino)phenyl]methyl]-3-methoxy-N,N-dimethylaniline (PubChem CID 139618070) has the molecular formula C30H41N3O and a molecular weight of 459.68 g/mol. Its IUPAC name is 4-[bis[4-(diethylamino)phenyl]methyl]-3-methoxy-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[bis[4-(diethylamino)phenyl]methyl]-3-methoxy-N,N-dimethylaniline
PubChem CID139618070
Molecular FormulaC30H41N3O
Molecular Weight459.68 g/mol
Exact Mass459.32
IUPAC Name4-[bis[4-(diethylamino)phenyl]methyl]-3-methoxy-N,N-dimethylaniline
SMILESCCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2ccc(N(C)C)cc2OC)cc1
InChIInChI=1S/C30H41N3O/c1-8-32(9-2)25-16-12-23(13-17-25)30(24-14-18-26(19-15-24)33(10-3)11-4)28-21-20-27(31(5)6)22-29(28)34-7/h12-22,30H,8-11H2,1-7H3
InChIKeyFHXFNYBXXXPUHQ-UHFFFAOYSA-N
XLogP6.63
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.68
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[bis[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-propan-2-yloxyaniline
CID 139618074
[2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate
CID 54257011
4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline
CID 18998086
4-[[4-(dimethylamino)phenyl]-(2-methylanilino)methyl]-N,N-diethyl-3-methoxyaniline
CID 139644957
N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline
CID 54484016
3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol
CID 170874587
4-[[[4-(diethylamino)-2-ethoxyphenyl]-[4-(diethylamino)phenyl]methoxy]-[4-(diethylamino)phenyl]methyl]-3-ethoxy-N,N-diethylaniline
CID 18998185
[2-[bis[4-(dibenzylamino)phenyl]methyl]-5-(dimethylamino)phenyl] N-methylcarbamate
CID 172723682
2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline
CID 69278893
4-[[[4-(diethylamino)-2-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
CID 18998141
4-[bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]-N,N-diethyl-3-methylaniline
CID 91746104

Frequently Asked Questions

What is the IUPAC name of 4-[bis[4-(diethylamino)phenyl]methyl]-3-methoxy-N,N-dimethylaniline?
The IUPAC name of 4-[bis[4-(diethylamino)phenyl]methyl]-3-methoxy-N,N-dimethylaniline (CID 139618070) is 4-[bis[4-(diethylamino)phenyl]methyl]-3-methoxy-N,N-dimethylaniline.
What is the SMILES notation for 4-[bis[4-(diethylamino)phenyl]methyl]-3-methoxy-N,N-dimethylaniline?
The canonical SMILES for 4-[bis[4-(diethylamino)phenyl]methyl]-3-methoxy-N,N-dimethylaniline is CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2ccc(N(C)C)cc2OC)cc1.
What is the InChIKey of 4-[bis[4-(diethylamino)phenyl]methyl]-3-methoxy-N,N-dimethylaniline?
The InChIKey is FHXFNYBXXXPUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O/c1-8-32(9-2)25-16-12-23(13-17-25)30(24-14-18-26(19-15-24)33(10-3)11-4)28-21-20-27(31(5)6)22-29(28)34-7/h12-22,30H,8-11H2,1-7H3.
What are the key properties of 4-[bis[4-(diethylamino)phenyl]methyl]-3-methoxy-N,N-dimethylaniline?
4-[bis[4-(diethylamino)phenyl]methyl]-3-methoxy-N,N-dimethylaniline has a molecular weight of 459.68 g/mol, XLogP of 6.63, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis[4-(diethylamino)phenyl]methyl]-3-methoxy-N,N-dimethylaniline is sourced from PubChem (CID 139618070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).