4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline

C10H11BrFN — CID 103439382

IUPAC4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline
SMILESCc1cc(Br)c(F)cc1NC1CC1
InChIInChI=1S/C10H11BrFN/c1-6-4-8(11)9(12)5-10(6)13-7-2-3-7/h4-5,7,13H,2-3H2,1H3
InChIKeyIYAUOULNVLCLPO-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.47
Rot. Bonds2

About 4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline

4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline (PubChem CID 103439382) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline
PubChem CID103439382
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline
SMILESCc1cc(Br)c(F)cc1NC1CC1
InChIInChI=1S/C10H11BrFN/c1-6-4-8(11)9(12)5-10(6)13-7-2-3-7/h4-5,7,13H,2-3H2,1H3
InChIKeyIYAUOULNVLCLPO-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline?
The IUPAC name of 4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline (CID 103439382) is 4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline.
What is the SMILES notation for 4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline?
The canonical SMILES for 4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline is Cc1cc(Br)c(F)cc1NC1CC1.
What is the InChIKey of 4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline?
The InChIKey is IYAUOULNVLCLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-6-4-8(11)9(12)5-10(6)13-7-2-3-7/h4-5,7,13H,2-3H2,1H3.
What are the key properties of 4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline?
4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline has a molecular weight of 244.11 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline is sourced from PubChem (CID 103439382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).