[(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine

C11H12F3N — CID 94557654

IUPAC[(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine
SMILESNC[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3N/c12-11(13,14)9-3-1-2-7(4-9)10-5-8(10)6-15/h1-4,8,10H,5-6,15H2/t8-,10+/m1/s1
InChIKeyHMVDYILQOBDJFR-SCZZXKLOSA-N
MW215.22 g/mol
LogP2.77
Rot. Bonds2

About [(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine

[(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine (PubChem CID 94557654) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is [(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine
PubChem CID94557654
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name[(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine
SMILESNC[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3N/c12-11(13,14)9-3-1-2-7(4-9)10-5-8(10)6-15/h1-4,8,10H,5-6,15H2/t8-,10+/m1/s1
InChIKeyHMVDYILQOBDJFR-SCZZXKLOSA-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

[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 94557656
[(1R,2R)-2-[3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]methanamine;hydrochloride
CID 68922618
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 68924561
4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81013148
methyl 2-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]acetate
CID 101035785
3-[(2R)-2-(aminomethyl)cyclopropyl]phenol
CID 105432221
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 120741921
3-[(1R,2R)-2-(aminomethyl)cyclopropyl]benzonitrile
CID 94556811
2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
CID 81415478
[2-(3-ethynylphenyl)cyclopropyl]methanamine
CID 75074269
[2-(3-phenoxyphenyl)cyclopropyl]methanamine
CID 62708512
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine (CID 94557654) is [(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine is NC[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1.
What is the InChIKey of [(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The InChIKey is HMVDYILQOBDJFR-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H12F3N/c12-11(13,14)9-3-1-2-7(4-9)10-5-8(10)6-15/h1-4,8,10H,5-6,15H2/t8-,10+/m1/s1.
What are the key properties of [(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
[(1S,2R)-2-[3-(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,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 94557654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).