3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

C17H18F3NO — CID 23623913

IUPAC3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCc1ccccc1C(CCN)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO/c1-12-4-2-3-5-15(12)16(10-11-21)22-14-8-6-13(7-9-14)17(18,19)20/h2-9,16H,10-11,21H2,1H3
InChIKeyQPFQVIIJJOGUQT-UHFFFAOYSA-N
MW309.33 g/mol
LogP4.48
Rot. Bonds5

About 3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 23623913) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID23623913
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCc1ccccc1C(CCN)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO/c1-12-4-2-3-5-15(12)16(10-11-21)22-14-8-6-13(7-9-14)17(18,19)20/h2-9,16H,10-11,21H2,1H3
InChIKeyQPFQVIIJJOGUQT-UHFFFAOYSA-N
XLogP4.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 3058750
3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine
CID 67124192
3-(2-methoxyphenyl)-3-phenoxypropan-1-amine
CID 112501709
1-(3-chloro-1-phenylpropoxy)-4-(trifluoromethyl)benzene
CID 12851437
3-fluoro-3-(2-methylphenyl)propan-1-amine
CID 84652798
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
CID 44669843
methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium
CID 15940193
1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene
CID 67613693
N-deuterio-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 138402735
2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 117244064
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90598910
3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine
CID 10177883

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of 3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CID 23623913) is 3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for 3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for 3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is Cc1ccccc1C(CCN)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is QPFQVIIJJOGUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-12-4-2-3-5-15(12)16(10-11-21)22-14-8-6-13(7-9-14)17(18,19)20/h2-9,16H,10-11,21H2,1H3.
What are the key properties of 3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 309.33 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 23623913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).