(2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine

C11H12F3N — CID 65422564

IUPAC(2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine
SMILESCC1CC1C(N)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H12F3N/c1-5-4-7(5)11(15)6-2-3-8(12)10(14)9(6)13/h2-3,5,7,11H,4,15H2,1H3
InChIKeyCZTBSDBIUVPUAG-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.76
Rot. Bonds2

About (2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine

(2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine (PubChem CID 65422564) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is (2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine
PubChem CID65422564
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name(2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine
SMILESCC1CC1C(N)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H12F3N/c1-5-4-7(5)11(15)6-2-3-8(12)10(14)9(6)13/h2-3,5,7,11H,4,15H2,1H3
InChIKeyCZTBSDBIUVPUAG-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2-methyloxolan-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115855316
(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine
CID 62965487
(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205794
cycloheptyl-(2,3,4-trifluorophenyl)methanamine
CID 65399083
(R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine
CID 171248262
2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 65410711
(S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine
CID 93262194
(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methanamine
CID 99724266
thian-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 80626778
2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine
CID 65406294
(2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine
CID 130512104
2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 79016147

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine (CID 65422564) is (2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine is CC1CC1C(N)c1ccc(F)c(F)c1F.
What is the InChIKey of (2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is CZTBSDBIUVPUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c1-5-4-7(5)11(15)6-2-3-8(12)10(14)9(6)13/h2-3,5,7,11H,4,15H2,1H3.
What are the key properties of (2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine?
(2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 215.22 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 65422564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).