1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine

C11H14F3NO — CID 60907315

IUPAC1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-8(15)6-9-2-4-10(5-3-9)16-7-11(12,13)14/h2-5,8H,6-7,15H2,1H3
InChIKeyLAABTPIVJXPZPG-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.52
Rot. Bonds4

About 1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine

1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine (PubChem CID 60907315) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
PubChem CID60907315
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-8(15)6-9-2-4-10(5-3-9)16-7-11(12,13)14/h2-5,8H,6-7,15H2,1H3
InChIKeyLAABTPIVJXPZPG-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine
CID 170890919
1-(4-propoxyphenyl)propan-2-amine;hydrochloride
CID 3027264
1-[4-(2-bromoethoxy)phenyl]propan-2-amine
CID 170864441
(2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine
CID 57215719
acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane
CID 143388365
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119277641
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 60837802
[4-(2-aminopropyl)phenyl] carbamate
CID 57045083
[4-[(2R)-2-aminopropyl]phenyl] carbamate
CID 66608683
N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline
CID 43425654
bis[[4-(2-aminopropyl)phenoxy]methoxy]-oxophosphanium
CID 57050962
(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119701662

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine (CID 60907315) is 1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine is CC(N)Cc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine?
The InChIKey is LAABTPIVJXPZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8(15)6-9-2-4-10(5-3-9)16-7-11(12,13)14/h2-5,8H,6-7,15H2,1H3.
What are the key properties of 1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine?
1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine has a molecular weight of 233.23 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 60907315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).