N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine

C15H22F3NO — CID 64554154

IUPACN-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(C)cc1OCCC(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-4-8-19-12(3)13-6-5-11(2)10-14(13)20-9-7-15(16,17)18/h5-6,10,12,19H,4,7-9H2,1-3H3
InChIKeySGAGHMPTGOSBJE-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.39
Rot. Bonds7

About N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine

N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine (PubChem CID 64554154) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine
PubChem CID64554154
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(C)cc1OCCC(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-4-8-19-12(3)13-6-5-11(2)10-14(13)20-9-7-15(16,17)18/h5-6,10,12,19H,4,7-9H2,1-3H3
InChIKeySGAGHMPTGOSBJE-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115513259
N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine
CID 55246297
3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide
CID 63639953
5-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]pentanenitrile
CID 63640292
N-[1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine
CID 64553534
N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 63641162
N,N-dimethyl-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 63640123
2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide
CID 63640126
N-[1-[4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 63640130
propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate
CID 63641331
1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640644
1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanol
CID 113326521

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine (CID 64554154) is N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(C)cc1OCCC(F)(F)F.
What is the InChIKey of N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is SGAGHMPTGOSBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-4-8-19-12(3)13-6-5-11(2)10-14(13)20-9-7-15(16,17)18/h5-6,10,12,19H,4,7-9H2,1-3H3.
What are the key properties of N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine?
N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 64554154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).