[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine

C11H12F3N — CID 44572757

IUPAC[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine
SMILESNC[C@H]1C[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C11H12F3N/c12-11(13,14)10-4-2-1-3-8(10)9-5-7(9)6-15/h1-4,7,9H,5-6,15H2/t7-,9+/m1/s1
InChIKeyJBDVVLCWMKDZLY-APPZFPTMSA-N
MW215.22 g/mol
LogP2.77
Rot. Bonds2

About [(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine

[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine (PubChem CID 44572757) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is [(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine
PubChem CID44572757
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine
SMILESNC[C@H]1C[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C11H12F3N/c12-11(13,14)10-4-2-1-3-8(10)9-5-7(9)6-15/h1-4,7,9H,5-6,15H2/t7-,9+/m1/s1
InChIKeyJBDVVLCWMKDZLY-APPZFPTMSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene
CID 130539881
trans-(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 94603912
trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 94603915
4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81014823
tert-butyl (3S,4S)-3-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylate
CID 57365020
1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 118271900
1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene
CID 118593677
(1S,2S,4S)-4-[2-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 139433627
(2-amino-2-oxoethyl) 2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 71900564
(1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol
CID 28912537
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433
trans-(1S,2S)-4-[2-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;dihydrochloride
CID 161413657

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine (CID 44572757) is [(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine is NC[C@H]1C[C@@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of [(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The InChIKey is JBDVVLCWMKDZLY-APPZFPTMSA-N. The full InChI is InChI=1S/C11H12F3N/c12-11(13,14)10-4-2-1-3-8(10)9-5-7(9)6-15/h1-4,7,9H,5-6,15H2/t7-,9+/m1/s1.
What are the key properties of [(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine has a molecular weight of 215.22 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 44572757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).