2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine

C9H11ClFN — CID 53403713

IUPAC2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine
SMILESCc1ccc(Cl)c(CCN)c1F
InChIInChI=1S/C9H11ClFN/c1-6-2-3-8(10)7(4-5-12)9(6)11/h2-3H,4-5,12H2,1H3
InChIKeyXCNZXRHQCSYSOX-UHFFFAOYSA-N
MW187.65 g/mol
LogP2.29
Rot. Bonds2

About 2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine

2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine (PubChem CID 53403713) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine
PubChem CID53403713
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine
SMILESCc1ccc(Cl)c(CCN)c1F
InChIInChI=1S/C9H11ClFN/c1-6-2-3-8(10)7(4-5-12)9(6)11/h2-3H,4-5,12H2,1H3
InChIKeyXCNZXRHQCSYSOX-UHFFFAOYSA-N
XLogP2.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine?
The IUPAC name of 2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine (CID 53403713) is 2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine is Cc1ccc(Cl)c(CCN)c1F.
What is the InChIKey of 2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine?
The InChIKey is XCNZXRHQCSYSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-6-2-3-8(10)7(4-5-12)9(6)11/h2-3H,4-5,12H2,1H3.
What are the key properties of 2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine?
2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine has a molecular weight of 187.65 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine is sourced from PubChem (CID 53403713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).