1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

C12H16F3NO2 — CID 103214941

IUPAC1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCOc1cccc(CC(N)COCC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO2/c1-17-11-4-2-3-9(6-11)5-10(16)7-18-8-12(13,14)15/h2-4,6,10H,5,7-8,16H2,1H3
InChIKeyPWKVZAMTJVNMEW-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.14
Rot. Bonds6

About 1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103214941) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103214941
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCOc1cccc(CC(N)COCC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO2/c1-17-11-4-2-3-9(6-11)5-10(16)7-18-8-12(13,14)15/h2-4,6,10H,5,7-8,16H2,1H3
InChIKeyPWKVZAMTJVNMEW-UHFFFAOYSA-N
XLogP2.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105133732
1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 70661162
2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62530806
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
1-[3-(2,2,2-trifluoroethoxy)phenyl]butan-2-amine
CID 54929405
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216527
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 61263481
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
3-fluoro-4-(3-methoxyphenyl)butan-2-amine
CID 105450748
1-(3-methoxyphenyl)dodecan-2-amine
CID 63417344
5-methoxy-1-(3-methoxyphenyl)hexan-2-amine
CID 105133883

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103214941) is 1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is COc1cccc(CC(N)COCC(F)(F)F)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is PWKVZAMTJVNMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-17-11-4-2-3-9(6-11)5-10(16)7-18-8-12(13,14)15/h2-4,6,10H,5,7-8,16H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 263.26 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103214941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).