2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine

C12H16FN — CID 55269434

IUPAC2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine
SMILESCc1cc(C(CN)C2CC2)ccc1F
InChIInChI=1S/C12H16FN/c1-8-6-10(4-5-12(8)13)11(7-14)9-2-3-9/h4-6,9,11H,2-3,7,14H2,1H3
InChIKeyXJWSEPXGLGFSJB-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.59
Rot. Bonds3

About 2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine

2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine (PubChem CID 55269434) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine
PubChem CID55269434
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine
SMILESCc1cc(C(CN)C2CC2)ccc1F
InChIInChI=1S/C12H16FN/c1-8-6-10(4-5-12(8)13)11(7-14)9-2-3-9/h4-6,9,11H,2-3,7,14H2,1H3
InChIKeyXJWSEPXGLGFSJB-UHFFFAOYSA-N
XLogP2.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol
CID 171267876
2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine
CID 82084320
2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine
CID 83973673
3-cyclobutyl-3-(4-fluoro-3-methylphenyl)propanoic acid
CID 82291605
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046
1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride
CID 115683937
(1S,2R)-2-amino-1-cyclobutyl-2-(4-fluoro-3-methylphenyl)ethanol
CID 171262203
2-cyclopropyl-2-(4-propan-2-ylphenyl)ethanamine
CID 82024028
2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 83972701
2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 83973668
[(4-fluoro-3-methylphenyl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232186
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine?
The IUPAC name of 2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine (CID 55269434) is 2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine is Cc1cc(C(CN)C2CC2)ccc1F.
What is the InChIKey of 2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine?
The InChIKey is XJWSEPXGLGFSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-6-10(4-5-12(8)13)11(7-14)9-2-3-9/h4-6,9,11H,2-3,7,14H2,1H3.
What are the key properties of 2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine?
2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine has a molecular weight of 193.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine is sourced from PubChem (CID 55269434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).