(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine

C9H10F3N — CID 7023585

IUPAC(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESC[C@H](N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3N/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-6H,13H2,1H3/t6-/m0/s1
InChIKeyODZXRBRYQGYVJY-LURJTMIESA-N
MW189.18 g/mol
LogP2.73
Rot. Bonds1

About (1S)-1-[3-(trifluoromethyl)phenyl]ethanamine

(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 7023585) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is (1S)-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID7023585
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESC[C@H](N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3N/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-6H,13H2,1H3/t6-/m0/s1
InChIKeyODZXRBRYQGYVJY-LURJTMIESA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

chloromethane;(1R)-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanamine
CID 164589400
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine
CID 79298392
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine
CID 83856289
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 29016755
2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64634045
(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 171311708
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 166520305
N'-methyl-N'-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54938195

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 7023585) is (1S)-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-(trifluoromethyl)phenyl]ethanamine is C[C@H](N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (1S)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is ODZXRBRYQGYVJY-LURJTMIESA-N. The full InChI is InChI=1S/C9H10F3N/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-6H,13H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-[3-(trifluoromethyl)phenyl]ethanamine?
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 189.18 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 7023585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).