1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine

C12H16FN — CID 62122616

IUPAC1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine
SMILESCc1cc(C2CC2C(C)N)ccc1F
InChIInChI=1S/C12H16FN/c1-7-5-9(3-4-12(7)13)11-6-10(11)8(2)14/h3-5,8,10-11H,6,14H2,1-2H3
InChIKeyCXRBXZAGWVNDOJ-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.58
Rot. Bonds2

About 1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine

1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine (PubChem CID 62122616) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine
PubChem CID62122616
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine
SMILESCc1cc(C2CC2C(C)N)ccc1F
InChIInChI=1S/C12H16FN/c1-7-5-9(3-4-12(7)13)11-6-10(11)8(2)14/h3-5,8,10-11H,6,14H2,1-2H3
InChIKeyCXRBXZAGWVNDOJ-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine (CID 62122616) is 1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine is Cc1cc(C2CC2C(C)N)ccc1F.
What is the InChIKey of 1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine?
The InChIKey is CXRBXZAGWVNDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-7-5-9(3-4-12(7)13)11-6-10(11)8(2)14/h3-5,8,10-11H,6,14H2,1-2H3.
What are the key properties of 1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine?
1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine has a molecular weight of 193.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 62122616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).