(2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine

C12H16F3NO — CID 95001885

IUPAC(2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC(C)O[C@@H](CN)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-8(2)17-11(7-16)9-5-3-4-6-10(9)12(13,14)15/h3-6,8,11H,7,16H2,1-2H3/t11-/m0/s1
InChIKeyDKXJTQYKAXFKKI-NSHDSACASA-N
MW247.26 g/mol
LogP3.13
Rot. Bonds4

About (2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine

(2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 95001885) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is (2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID95001885
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name(2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC(C)O[C@@H](CN)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-8(2)17-11(7-16)9-5-3-4-6-10(9)12(13,14)15/h3-6,8,11H,7,16H2,1-2H3/t11-/m0/s1
InChIKeyDKXJTQYKAXFKKI-NSHDSACASA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275640
2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66276282
[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl] carbamate
CID 154491926
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
(1S)-N,N-diethyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 30115269
1-(1-bromoethyl)-2-(trifluoromethyl)benzene
CID 2775621
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163
2-(3-hydroxybutan-2-yloxy)-2-[2-(trifluoromethyl)phenyl]acetonitrile
CID 103376245
1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid
CID 69266892
1-[2-(trifluoromethyl)phenyl]propyl methanesulfonate
CID 122475545

Frequently Asked Questions

What is the IUPAC name of (2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine (CID 95001885) is (2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine is CC(C)O[C@@H](CN)c1ccccc1C(F)(F)F.
What is the InChIKey of (2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is DKXJTQYKAXFKKI-NSHDSACASA-N. The full InChI is InChI=1S/C12H16F3NO/c1-8(2)17-11(7-16)9-5-3-4-6-10(9)12(13,14)15/h3-6,8,11H,7,16H2,1-2H3/t11-/m0/s1.
What are the key properties of (2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine?
(2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 247.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 95001885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).