3-(3-ethenyl-4-methoxyphenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine

C14H18F3NO — CID 168924245

IUPAC3-(3-ethenyl-4-methoxyphenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine
SMILESC=Cc1cc(CC(NCC)C(F)(F)F)ccc1OC
InChIInChI=1S/C14H18F3NO/c1-4-11-8-10(6-7-12(11)19-3)9-13(18-5-2)14(15,16)17/h4,6-8,13,18H,1,5,9H2,2-3H3
InChIKeyQZQIPNCJMWNWIW-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.42
Rot. Bonds6

About 3-(3-ethenyl-4-methoxyphenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine

3-(3-ethenyl-4-methoxyphenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine (PubChem CID 168924245) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-(3-ethenyl-4-methoxyphenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name3-(3-ethenyl-4-methoxyphenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine
PubChem CID168924245
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name3-(3-ethenyl-4-methoxyphenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine
SMILESC=Cc1cc(CC(NCC)C(F)(F)F)ccc1OC
InChIInChI=1S/C14H18F3NO/c1-4-11-8-10(6-7-12(11)19-3)9-13(18-5-2)14(15,16)17/h4,6-8,13,18H,1,5,9H2,2-3H3
InChIKeyQZQIPNCJMWNWIW-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2,2-bis(trifluoromethylsulfonyl)ethyl]-2-ethenyl-1-methoxybenzene
CID 145079782
1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine
CID 168924254
3-(3-bromo-4-methoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 115818094
1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine
CID 115817955
3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 168924123
N-ethyl-1-(3-methoxy-4-nitrophenyl)-3,3-dimethylbutan-2-amine
CID 63677111
(2E,4E,6R)-7-(3,4-dimethoxyphenyl)-1-(ethylamino)hepta-2,4-diene-1,6-diol
CID 72694813
N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine
CID 66468597
1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198045
N-cyclopentyl-2-(3-ethenyl-4-methoxyphenyl)acetamide
CID 176516153
(1S,3R)-1-(3,4-dimethoxyphenyl)-N-ethyl-4,4,4-trifluoro-3-(2-methylhydrazinyl)butan-1-amine
CID 147773142
1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79047153

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenyl-4-methoxyphenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 3-(3-ethenyl-4-methoxyphenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine (CID 168924245) is 3-(3-ethenyl-4-methoxyphenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 3-(3-ethenyl-4-methoxyphenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 3-(3-ethenyl-4-methoxyphenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine is C=Cc1cc(CC(NCC)C(F)(F)F)ccc1OC.
What is the InChIKey of 3-(3-ethenyl-4-methoxyphenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine?
The InChIKey is QZQIPNCJMWNWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-4-11-8-10(6-7-12(11)19-3)9-13(18-5-2)14(15,16)17/h4,6-8,13,18H,1,5,9H2,2-3H3.
What are the key properties of 3-(3-ethenyl-4-methoxyphenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine?
3-(3-ethenyl-4-methoxyphenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine has a molecular weight of 273.30 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenyl-4-methoxyphenyl)-N-ethyl-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 168924245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).