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

C12H16FN — CID 114347649

IUPAC1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)C1CC1
InChIInChI=1S/C12H16FN/c1-8-6-11(13)5-4-10(8)7-12(14)9-2-3-9/h4-6,9,12H,2-3,7,14H2,1H3
InChIKeyZORBRBWIFSFOCM-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.41
Rot. Bonds3

About 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine

1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 114347649) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID114347649
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)C1CC1
InChIInChI=1S/C12H16FN/c1-8-6-11(13)5-4-10(8)7-12(14)9-2-3-9/h4-6,9,12H,2-3,7,14H2,1H3
InChIKeyZORBRBWIFSFOCM-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105188329
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 105374002
1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373996
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65425532
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
1-cyclopentyl-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346848
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 114347797
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 103345688
2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105117558
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
2-(4-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethanamine
CID 114348186

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine (CID 114347649) is 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1CC(N)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is ZORBRBWIFSFOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-6-11(13)5-4-10(8)7-12(14)9-2-3-9/h4-6,9,12H,2-3,7,14H2,1H3.
What are the key properties of 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine?
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 193.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 114347649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).