N-[chloro-bis(3-methylphenyl)silyl]-2-methylpropan-2-amine

C18H24ClNSi — CID 70011657

IUPACN-[chloro-bis(3-methylphenyl)silyl]-2-methylpropan-2-amine
SMILESCc1cccc([Si](Cl)(NC(C)(C)C)c2cccc(C)c2)c1
InChIInChI=1S/C18H24ClNSi/c1-14-8-6-10-16(12-14)21(19,20-18(3,4)5)17-11-7-9-15(2)13-17/h6-13,20H,1-5H3
InChIKeyUNHWLICIAANAKA-UHFFFAOYSA-N
MW317.94 g/mol
LogP3.49
Rot. Bonds3

About N-[chloro-bis(3-methylphenyl)silyl]-2-methylpropan-2-amine

N-[chloro-bis(3-methylphenyl)silyl]-2-methylpropan-2-amine (PubChem CID 70011657) has the molecular formula C18H24ClNSi and a molecular weight of 317.94 g/mol. Its IUPAC name is N-[chloro-bis(3-methylphenyl)silyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[chloro-bis(3-methylphenyl)silyl]-2-methylpropan-2-amine
PubChem CID70011657
Molecular FormulaC18H24ClNSi
Molecular Weight317.94 g/mol
Exact Mass317.14
IUPAC NameN-[chloro-bis(3-methylphenyl)silyl]-2-methylpropan-2-amine
SMILESCc1cccc([Si](Cl)(NC(C)(C)C)c2cccc(C)c2)c1
InChIInChI=1S/C18H24ClNSi/c1-14-8-6-10-16(12-14)21(19,20-18(3,4)5)17-11-7-9-15(2)13-17/h6-13,20H,1-5H3
InChIKeyUNHWLICIAANAKA-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.94
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[chloro-bis(3-methylphenyl)silyl]-2-methylpropan-2-amine?
The IUPAC name of N-[chloro-bis(3-methylphenyl)silyl]-2-methylpropan-2-amine (CID 70011657) is N-[chloro-bis(3-methylphenyl)silyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[chloro-bis(3-methylphenyl)silyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[chloro-bis(3-methylphenyl)silyl]-2-methylpropan-2-amine is Cc1cccc([Si](Cl)(NC(C)(C)C)c2cccc(C)c2)c1.
What is the InChIKey of N-[chloro-bis(3-methylphenyl)silyl]-2-methylpropan-2-amine?
The InChIKey is UNHWLICIAANAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNSi/c1-14-8-6-10-16(12-14)21(19,20-18(3,4)5)17-11-7-9-15(2)13-17/h6-13,20H,1-5H3.
What are the key properties of N-[chloro-bis(3-methylphenyl)silyl]-2-methylpropan-2-amine?
N-[chloro-bis(3-methylphenyl)silyl]-2-methylpropan-2-amine has a molecular weight of 317.94 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro-bis(3-methylphenyl)silyl]-2-methylpropan-2-amine is sourced from PubChem (CID 70011657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).