1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

C14H20F3NO — CID 103214527

IUPAC1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCNC(COCC(F)(F)F)Cc1ccccc1
InChIInChI=1S/C14H20F3NO/c1-2-8-18-13(10-19-11-14(15,16)17)9-12-6-4-3-5-7-12/h3-7,13,18H,2,8-11H2,1H3
InChIKeyLMCFGZFEBFASCV-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.18
Rot. Bonds8

About 1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103214527) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103214527
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCNC(COCC(F)(F)F)Cc1ccccc1
InChIInChI=1S/C14H20F3NO/c1-2-8-18-13(10-19-11-14(15,16)17)9-12-6-4-3-5-7-12/h3-7,13,18H,2,8-11H2,1H3
InChIKeyLMCFGZFEBFASCV-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214582
[1-phenyl-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217246
1-(3-chloro-4-fluorophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216598
2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106705873
1-(2,3-dichlorophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 107309194
N-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214563
1-(5-bromothiophen-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214960
1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 63412549
N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103214890
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
methyl-[(2S)-3-phenyl-2-(propylamino)propoxy]phosphinic acid
CID 89196445
1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62605208

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103214527) is 1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is CCCNC(COCC(F)(F)F)Cc1ccccc1.
What is the InChIKey of 1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is LMCFGZFEBFASCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-2-8-18-13(10-19-11-14(15,16)17)9-12-6-4-3-5-7-12/h3-7,13,18H,2,8-11H2,1H3.
What are the key properties of 1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103214527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).