1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]cyclopropan-1-amine

C17H28ClNOSi — CID 67460556

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]cyclopropan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCC(c1ccc(Cl)cc1)C1(N)CC1
InChIInChI=1S/C17H28ClNOSi/c1-16(2,3)21(4,5)20-12-15(17(19)10-11-17)13-6-8-14(18)9-7-13/h6-9,15H,10-12,19H2,1-5H3
InChIKeyWQFDRHJNBKRRCU-UHFFFAOYSA-N
MW325.96 g/mol
LogP4.94
Rot. Bonds5

About 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]cyclopropan-1-amine

1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]cyclopropan-1-amine (PubChem CID 67460556) has the molecular formula C17H28ClNOSi and a molecular weight of 325.96 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]cyclopropan-1-amine
PubChem CID67460556
Molecular FormulaC17H28ClNOSi
Molecular Weight325.96 g/mol
Exact Mass325.16
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]cyclopropan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCC(c1ccc(Cl)cc1)C1(N)CC1
InChIInChI=1S/C17H28ClNOSi/c1-16(2,3)21(4,5)20-12-15(17(19)10-11-17)13-6-8-14(18)9-7-13/h6-9,15H,10-12,19H2,1-5H3
InChIKeyWQFDRHJNBKRRCU-UHFFFAOYSA-N
XLogP4.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.96
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]cyclopropan-1-amine (CID 67460556) is 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]cyclopropan-1-amine is CC(C)(C)[Si](C)(C)OCC(c1ccc(Cl)cc1)C1(N)CC1.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]cyclopropan-1-amine?
The InChIKey is WQFDRHJNBKRRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNOSi/c1-16(2,3)21(4,5)20-12-15(17(19)10-11-17)13-6-8-14(18)9-7-13/h6-9,15H,10-12,19H2,1-5H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]cyclopropan-1-amine?
1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]cyclopropan-1-amine has a molecular weight of 325.96 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 67460556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).