2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline

C18H29BrFNOSi — CID 170754007

IUPAC2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline
SMILESCC(C)(C)[Si](C)(C)OC1CCC(Nc2cc(F)ccc2Br)CC1
InChIInChI=1S/C18H29BrFNOSi/c1-18(2,3)23(4,5)22-15-9-7-14(8-10-15)21-17-12-13(20)6-11-16(17)19/h6,11-12,14-15,21H,7-10H2,1-5H3
InChIKeyFXJUWEFUDFJTHJ-UHFFFAOYSA-N
MW402.42 g/mol
LogP6.33
Rot. Bonds4

About 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline

2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline (PubChem CID 170754007) has the molecular formula C18H29BrFNOSi and a molecular weight of 402.42 g/mol. Its IUPAC name is 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline
PubChem CID170754007
Molecular FormulaC18H29BrFNOSi
Molecular Weight402.42 g/mol
Exact Mass401.12
IUPAC Name2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline
SMILESCC(C)(C)[Si](C)(C)OC1CCC(Nc2cc(F)ccc2Br)CC1
InChIInChI=1S/C18H29BrFNOSi/c1-18(2,3)23(4,5)22-15-9-7-14(8-10-15)21-17-12-13(20)6-11-16(17)19/h6,11-12,14-15,21H,7-10H2,1-5H3
InChIKeyFXJUWEFUDFJTHJ-UHFFFAOYSA-N
XLogP6.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.42
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline?
The IUPAC name of 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline (CID 170754007) is 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline?
The canonical SMILES for 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline is CC(C)(C)[Si](C)(C)OC1CCC(Nc2cc(F)ccc2Br)CC1.
What is the InChIKey of 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline?
The InChIKey is FXJUWEFUDFJTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrFNOSi/c1-18(2,3)23(4,5)22-15-9-7-14(8-10-15)21-17-12-13(20)6-11-16(17)19/h6,11-12,14-15,21H,7-10H2,1-5H3.
What are the key properties of 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline?
2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline has a molecular weight of 402.42 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline is sourced from PubChem (CID 170754007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).