4-[bis[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-propan-2-yloxyaniline

C34H49N3O — CID 139618074

IUPAC4-[bis[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-propan-2-yloxyaniline
SMILESCCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2OC(C)C)cc1
InChIInChI=1S/C34H49N3O/c1-9-35(10-2)29-19-15-27(16-20-29)34(28-17-21-30(22-18-28)36(11-3)12-4)32-24-23-31(37(13-5)14-6)25-33(32)38-26(7)8/h15-26,34H,9-14H2,1-8H3
InChIKeyZMEYYPXYTYCOQE-UHFFFAOYSA-N
MW515.79 g/mol
LogP8.19
Rot. Bonds14

About 4-[bis[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-propan-2-yloxyaniline

4-[bis[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-propan-2-yloxyaniline (PubChem CID 139618074) has the molecular formula C34H49N3O and a molecular weight of 515.79 g/mol. Its IUPAC name is 4-[bis[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-[bis[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-propan-2-yloxyaniline
PubChem CID139618074
Molecular FormulaC34H49N3O
Molecular Weight515.79 g/mol
Exact Mass515.39
IUPAC Name4-[bis[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-propan-2-yloxyaniline
SMILESCCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2OC(C)C)cc1
InChIInChI=1S/C34H49N3O/c1-9-35(10-2)29-19-15-27(16-20-29)34(28-17-21-30(22-18-28)36(11-3)12-4)32-24-23-31(37(13-5)14-6)25-33(32)38-26(7)8/h15-26,34H,9-14H2,1-8H3
InChIKeyZMEYYPXYTYCOQE-UHFFFAOYSA-N
XLogP8.19
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.79
LogP ≤ 58.19
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]-3-methoxy-N,N-dimethylaniline
CID 139618070
[2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate
CID 54257011
4-[[[4-(diethylamino)-2-ethoxyphenyl]-[4-(diethylamino)phenyl]methoxy]-[4-(diethylamino)phenyl]methyl]-3-ethoxy-N,N-diethylaniline
CID 18998185
4-[bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]-N,N-diethyl-3-methylaniline
CID 91746104
2-[[4-(diethylamino)-2-propan-2-yloxyphenyl]methylidene]propanedinitrile
CID 3702433
2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline
CID 69278893
2-[[4-(diethylamino)phenyl]-[4-[ethyl(propan-2-yl)amino]phenyl]methyl]benzene-1,4-dithiol
CID 145436804
4-(difluoromethyl)-N,N-diethylaniline
CID 154791327
2-[4-[[4-(diethylamino)phenyl]-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]ethanol
CID 59366403
1-[4-(diethylamino)-2-propan-2-yloxyphenyl]-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68556126
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-[[4-(diethylamino)-2-methylphenyl]-(4-phenylphenyl)methyl]-N,N-diethyl-3-methylaniline
CID 70996934

Frequently Asked Questions

What is the IUPAC name of 4-[bis[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-propan-2-yloxyaniline?
The IUPAC name of 4-[bis[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-propan-2-yloxyaniline (CID 139618074) is 4-[bis[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-propan-2-yloxyaniline.
What is the SMILES notation for 4-[bis[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-propan-2-yloxyaniline?
The canonical SMILES for 4-[bis[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-propan-2-yloxyaniline is CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2OC(C)C)cc1.
What is the InChIKey of 4-[bis[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-propan-2-yloxyaniline?
The InChIKey is ZMEYYPXYTYCOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49N3O/c1-9-35(10-2)29-19-15-27(16-20-29)34(28-17-21-30(22-18-28)36(11-3)12-4)32-24-23-31(37(13-5)14-6)25-33(32)38-26(7)8/h15-26,34H,9-14H2,1-8H3.
What are the key properties of 4-[bis[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-propan-2-yloxyaniline?
4-[bis[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-propan-2-yloxyaniline has a molecular weight of 515.79 g/mol, XLogP of 8.19, 14 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]-N,N-diethyl-3-propan-2-yloxyaniline is sourced from PubChem (CID 139618074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).