1-[1-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)propan-2-yl]cyclopropan-1-amine

C18H30ClNOSi — CID 67459966

IUPAC1-[1-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)propan-2-yl]cyclopropan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCC(Cc1ccc(Cl)cc1)C1(N)CC1
InChIInChI=1S/C18H30ClNOSi/c1-17(2,3)22(4,5)21-13-15(18(20)10-11-18)12-14-6-8-16(19)9-7-14/h6-9,15H,10-13,20H2,1-5H3
InChIKeyVEMHEQVRWDKIAU-UHFFFAOYSA-N
MW339.98 g/mol
LogP5.01
Rot. Bonds6

About 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)propan-2-yl]cyclopropan-1-amine

1-[1-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)propan-2-yl]cyclopropan-1-amine (PubChem CID 67459966) has the molecular formula C18H30ClNOSi and a molecular weight of 339.98 g/mol. Its IUPAC name is 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)propan-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[1-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)propan-2-yl]cyclopropan-1-amine
PubChem CID67459966
Molecular FormulaC18H30ClNOSi
Molecular Weight339.98 g/mol
Exact Mass339.18
IUPAC Name1-[1-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)propan-2-yl]cyclopropan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCC(Cc1ccc(Cl)cc1)C1(N)CC1
InChIInChI=1S/C18H30ClNOSi/c1-17(2,3)22(4,5)21-13-15(18(20)10-11-18)12-14-6-8-16(19)9-7-14/h6-9,15H,10-13,20H2,1-5H3
InChIKeyVEMHEQVRWDKIAU-UHFFFAOYSA-N
XLogP5.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.98
LogP ≤ 55.01
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-[1-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)propan-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)propan-2-yl]cyclopropan-1-amine (CID 67459966) is 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)propan-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)propan-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)propan-2-yl]cyclopropan-1-amine is CC(C)(C)[Si](C)(C)OCC(Cc1ccc(Cl)cc1)C1(N)CC1.
What is the InChIKey of 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)propan-2-yl]cyclopropan-1-amine?
The InChIKey is VEMHEQVRWDKIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNOSi/c1-17(2,3)22(4,5)21-13-15(18(20)10-11-18)12-14-6-8-16(19)9-7-14/h6-9,15H,10-13,20H2,1-5H3.
What are the key properties of 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)propan-2-yl]cyclopropan-1-amine?
1-[1-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)propan-2-yl]cyclopropan-1-amine has a molecular weight of 339.98 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)propan-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 67459966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).