1,1-bis(3-methylphenyl)-3-trimethoxysilylpropan-1-amine

C20H29NO3Si — CID 21018722

IUPAC1,1-bis(3-methylphenyl)-3-trimethoxysilylpropan-1-amine
SMILESCO[Si](CCC(N)(c1cccc(C)c1)c1cccc(C)c1)(OC)OC
InChIInChI=1S/C20H29NO3Si/c1-16-8-6-10-18(14-16)20(21,19-11-7-9-17(2)15-19)12-13-25(22-3,23-4)24-5/h6-11,14-15H,12-13,21H2,1-5H3
InChIKeyUVGRLXZCDNPBCM-UHFFFAOYSA-N
MW359.54 g/mol
LogP3.77
Rot. Bonds8

About 1,1-bis(3-methylphenyl)-3-trimethoxysilylpropan-1-amine

1,1-bis(3-methylphenyl)-3-trimethoxysilylpropan-1-amine (PubChem CID 21018722) has the molecular formula C20H29NO3Si and a molecular weight of 359.54 g/mol. Its IUPAC name is 1,1-bis(3-methylphenyl)-3-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound Name1,1-bis(3-methylphenyl)-3-trimethoxysilylpropan-1-amine
PubChem CID21018722
Molecular FormulaC20H29NO3Si
Molecular Weight359.54 g/mol
Exact Mass359.19
IUPAC Name1,1-bis(3-methylphenyl)-3-trimethoxysilylpropan-1-amine
SMILESCO[Si](CCC(N)(c1cccc(C)c1)c1cccc(C)c1)(OC)OC
InChIInChI=1S/C20H29NO3Si/c1-16-8-6-10-18(14-16)20(21,19-11-7-9-17(2)15-19)12-13-25(22-3,23-4)24-5/h6-11,14-15H,12-13,21H2,1-5H3
InChIKeyUVGRLXZCDNPBCM-UHFFFAOYSA-N
XLogP3.77
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
3-phenyl-5-trimethoxysilylpentane-1,3-diamine
CID 174890020
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400
1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine
CID 103522997
methyl (2R)-2-hydroxy-2-(3-methylphenyl)propanoate
CID 56926601
1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine
CID 105452057
2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol
CID 130021958
[dihydroxy-(3-methylphenyl)methyl]sulfanyl-(3-methylphenyl)methanediol
CID 150288864
(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051
4-(3-methylbutoxy)-2-(3-methylphenyl)butan-2-amine
CID 55096441
1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine
CID 55116130

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(3-methylphenyl)-3-trimethoxysilylpropan-1-amine?
The IUPAC name of 1,1-bis(3-methylphenyl)-3-trimethoxysilylpropan-1-amine (CID 21018722) is 1,1-bis(3-methylphenyl)-3-trimethoxysilylpropan-1-amine.
What is the SMILES notation for 1,1-bis(3-methylphenyl)-3-trimethoxysilylpropan-1-amine?
The canonical SMILES for 1,1-bis(3-methylphenyl)-3-trimethoxysilylpropan-1-amine is CO[Si](CCC(N)(c1cccc(C)c1)c1cccc(C)c1)(OC)OC.
What is the InChIKey of 1,1-bis(3-methylphenyl)-3-trimethoxysilylpropan-1-amine?
The InChIKey is UVGRLXZCDNPBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3Si/c1-16-8-6-10-18(14-16)20(21,19-11-7-9-17(2)15-19)12-13-25(22-3,23-4)24-5/h6-11,14-15H,12-13,21H2,1-5H3.
What are the key properties of 1,1-bis(3-methylphenyl)-3-trimethoxysilylpropan-1-amine?
1,1-bis(3-methylphenyl)-3-trimethoxysilylpropan-1-amine has a molecular weight of 359.54 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(3-methylphenyl)-3-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 21018722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).