(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine

C19H28F3NO — CID 100695232

IUPAC(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESC[C@@H](Cc1cccc(C(F)(F)F)c1)NC[C@H]1CCO[C@@H]1C(C)(C)C
InChIInChI=1S/C19H28F3NO/c1-13(10-14-6-5-7-16(11-14)19(20,21)22)23-12-15-8-9-24-17(15)18(2,3)4/h5-7,11,13,15,17,23H,8-10,12H2,1-4H3/t13-,15+,17-/m0/s1
InChIKeyGUTFVXSRNNWZBU-LXZKKBNFSA-N
MW343.43 g/mol
LogP4.68
Rot. Bonds5

About (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine

(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 100695232) has the molecular formula C19H28F3NO and a molecular weight of 343.43 g/mol. Its IUPAC name is (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID100695232
Molecular FormulaC19H28F3NO
Molecular Weight343.43 g/mol
Exact Mass343.21
IUPAC Name(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESC[C@@H](Cc1cccc(C(F)(F)F)c1)NC[C@H]1CCO[C@@H]1C(C)(C)C
InChIInChI=1S/C19H28F3NO/c1-13(10-14-6-5-7-16(11-14)19(20,21)22)23-12-15-8-9-24-17(15)18(2,3)4/h5-7,11,13,15,17,23H,8-10,12H2,1-4H3/t13-,15+,17-/m0/s1
InChIKeyGUTFVXSRNNWZBU-LXZKKBNFSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine with MolForge

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Related Compounds

(2S)-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 42563452
3-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanenitrile;hydrochloride
CID 3046408
ethane;N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydroxysulfanylethane
CID 143236210
4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-amine
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(2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 757431
acetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol
CID 23622748
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;2-methylbuta-1,3-diene;hydrochloride
CID 87555857
3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 115831160
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 100695232) is (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine is C[C@@H](Cc1cccc(C(F)(F)F)c1)NC[C@H]1CCO[C@@H]1C(C)(C)C.
What is the InChIKey of (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is GUTFVXSRNNWZBU-LXZKKBNFSA-N. The full InChI is InChI=1S/C19H28F3NO/c1-13(10-14-6-5-7-16(11-14)19(20,21)22)23-12-15-8-9-24-17(15)18(2,3)4/h5-7,11,13,15,17,23H,8-10,12H2,1-4H3/t13-,15+,17-/m0/s1.
What are the key properties of (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 343.43 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 100695232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).