3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine

C10H12F3NO — CID 61392780

IUPAC3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
SMILESCOc1cccc(C(N)CC(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c1-15-8-4-2-3-7(5-8)9(14)6-10(11,12)13/h2-5,9H,6,14H2,1H3
InChIKeySKHPJNKLNQYAEG-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.65
Rot. Bonds3

About 3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine

3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine (PubChem CID 61392780) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
PubChem CID61392780
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
SMILESCOc1cccc(C(N)CC(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c1-15-8-4-2-3-7(5-8)9(14)6-10(11,12)13/h2-5,9H,6,14H2,1H3
InChIKeySKHPJNKLNQYAEG-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 103024842
3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine
CID 112693450
(1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
CID 171218913
(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171220071
(1S)-3,3,3-trifluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine
CID 171228193
[3-[(1S)-1-amino-3,3,3-trifluoropropyl]phenyl] acetate;hydrochloride
CID 171229347
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209879
ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine
CID 156724875
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine
CID 82004138
1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
CID 117242766
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine (CID 61392780) is 3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine is COc1cccc(C(N)CC(F)(F)F)c1.
What is the InChIKey of 3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine?
The InChIKey is SKHPJNKLNQYAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-15-8-4-2-3-7(5-8)9(14)6-10(11,12)13/h2-5,9H,6,14H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine?
3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine has a molecular weight of 219.21 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 61392780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).