(1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine

C12H14F3N — CID 29079331

IUPAC(1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine
SMILESC[C@H](N)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3N/c1-7(16)10-6-11(10)8-2-4-9(5-3-8)12(13,14)15/h2-5,7,10-11H,6,16H2,1H3/t7-,10+,11+/m0/s1
InChIKeySRUWKSINWHQELT-WHGOUJPWSA-N
MW229.25 g/mol
LogP3.16
Rot. Bonds2

About (1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine

(1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine (PubChem CID 29079331) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is (1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine
PubChem CID29079331
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name(1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine
SMILESC[C@H](N)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3N/c1-7(16)10-6-11(10)8-2-4-9(5-3-8)12(13,14)15/h2-5,7,10-11H,6,16H2,1H3/t7-,10+,11+/m0/s1
InChIKeySRUWKSINWHQELT-WHGOUJPWSA-N
XLogP3.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine
CID 124831457
(1S)-1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]ethanamine
CID 28912438
(1S)-1-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 29079367
(1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 124744909
1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442
1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 62122616
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine
CID 43150348
(1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine
CID 29079515
(1S)-1-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]ethanamine
CID 124745003
(1R)-1-[(1S,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 28912479
2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine
CID 62713530
4-tert-butyl-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81014706

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine?
The IUPAC name of (1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine (CID 29079331) is (1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for (1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for (1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine is C[C@H](N)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine?
The InChIKey is SRUWKSINWHQELT-WHGOUJPWSA-N. The full InChI is InChI=1S/C12H14F3N/c1-7(16)10-6-11(10)8-2-4-9(5-3-8)12(13,14)15/h2-5,7,10-11H,6,16H2,1H3/t7-,10+,11+/m0/s1.
What are the key properties of (1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine?
(1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine has a molecular weight of 229.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 29079331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).