(4-anilinophenyl)methanol;N-phenyl-4-(4-trimethoxysilylbut-1-enyl)aniline

C32H38N2O4Si — CID 90950013

IUPAC(4-anilinophenyl)methanol;N-phenyl-4-(4-trimethoxysilylbut-1-enyl)aniline
SMILESCO[Si](CCC=Cc1ccc(Nc2ccccc2)cc1)(OC)OC.OCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H25NO3Si.C13H13NO/c1-21-24(22-2,23-3)16-8-7-9-17-12-14-19(15-13-17)20-18-10-5-4-6-11-18;15-10-11-6-8-13(9-7-11)14-12-4-2-1-3-5-12/h4-7,9-15,20H,8,16H2,1-3H3;1-9,14-15H,10H2
InChIKeyXCMCCNMIELGIIZ-UHFFFAOYSA-N
MW542.75 g/mol
LogP7.63
Rot. Bonds12

About (4-anilinophenyl)methanol;N-phenyl-4-(4-trimethoxysilylbut-1-enyl)aniline

(4-anilinophenyl)methanol;N-phenyl-4-(4-trimethoxysilylbut-1-enyl)aniline (PubChem CID 90950013) has the molecular formula C32H38N2O4Si and a molecular weight of 542.75 g/mol. Its IUPAC name is (4-anilinophenyl)methanol;N-phenyl-4-(4-trimethoxysilylbut-1-enyl)aniline.

Molecular Properties

Compound Name(4-anilinophenyl)methanol;N-phenyl-4-(4-trimethoxysilylbut-1-enyl)aniline
PubChem CID90950013
Molecular FormulaC32H38N2O4Si
Molecular Weight542.75 g/mol
Exact Mass542.26
IUPAC Name(4-anilinophenyl)methanol;N-phenyl-4-(4-trimethoxysilylbut-1-enyl)aniline
SMILESCO[Si](CCC=Cc1ccc(Nc2ccccc2)cc1)(OC)OC.OCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H25NO3Si.C13H13NO/c1-21-24(22-2,23-3)16-8-7-9-17-12-14-19(15-13-17)20-18-10-5-4-6-11-18;15-10-11-6-8-13(9-7-11)14-12-4-2-1-3-5-12/h4-7,9-15,20H,8,16H2,1-3H3;1-9,14-15H,10H2
InChIKeyXCMCCNMIELGIIZ-UHFFFAOYSA-N
XLogP7.63
TPSA71.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.75
LogP ≤ 57.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trimethoxy(5-phenylpent-4-enyl)silane
CID 57062369
ethyl 4-(4-anilinophenyl)but-3-enoate
CID 170797083
4-(4-anilinophenyl)but-3-enenitrile
CID 90791121
benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202
tris[[ethenyl(dimethyl)silyl]oxy]-(4-phenylbut-3-enyl)silane
CID 68658116
[4-[(5-methoxy-3-pyridinyl)amino]phenyl]methanol
CID 146636202
4-[(E)-2-chloroethenyl]-N-phenylaniline
CID 22717025
tert-butyl N-[4-(3-anilinophenyl)but-3-enyl]carbamate
CID 170491415
3-[4-[(3-methoxyquinoxalin-2-yl)amino]phenyl]prop-2-enoic acid
CID 171140921
4-[4-(methylamino)phenyl]but-3-en-1-ol
CID 170476280
4-[4-(hydroxymethyl)phenyl]but-3-enoic acid
CID 170483181
triethyl(4-phenylbut-3-enyl)silane
CID 85256276

Frequently Asked Questions

What is the IUPAC name of (4-anilinophenyl)methanol;N-phenyl-4-(4-trimethoxysilylbut-1-enyl)aniline?
The IUPAC name of (4-anilinophenyl)methanol;N-phenyl-4-(4-trimethoxysilylbut-1-enyl)aniline (CID 90950013) is (4-anilinophenyl)methanol;N-phenyl-4-(4-trimethoxysilylbut-1-enyl)aniline.
What is the SMILES notation for (4-anilinophenyl)methanol;N-phenyl-4-(4-trimethoxysilylbut-1-enyl)aniline?
The canonical SMILES for (4-anilinophenyl)methanol;N-phenyl-4-(4-trimethoxysilylbut-1-enyl)aniline is CO[Si](CCC=Cc1ccc(Nc2ccccc2)cc1)(OC)OC.OCc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of (4-anilinophenyl)methanol;N-phenyl-4-(4-trimethoxysilylbut-1-enyl)aniline?
The InChIKey is XCMCCNMIELGIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3Si.C13H13NO/c1-21-24(22-2,23-3)16-8-7-9-17-12-14-19(15-13-17)20-18-10-5-4-6-11-18;15-10-11-6-8-13(9-7-11)14-12-4-2-1-3-5-12/h4-7,9-15,20H,8,16H2,1-3H3;1-9,14-15H,10H2.
What are the key properties of (4-anilinophenyl)methanol;N-phenyl-4-(4-trimethoxysilylbut-1-enyl)aniline?
(4-anilinophenyl)methanol;N-phenyl-4-(4-trimethoxysilylbut-1-enyl)aniline has a molecular weight of 542.75 g/mol, XLogP of 7.63, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilinophenyl)methanol;N-phenyl-4-(4-trimethoxysilylbut-1-enyl)aniline is sourced from PubChem (CID 90950013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).