1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-N,4-dimethylpentan-1-amine

C15H21F4NO — CID 103032263

IUPAC1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C15H21F4NO/c1-14(2,21-4)9-8-12(20-3)10-6-5-7-11(13(10)16)15(17,18)19/h5-7,12,20H,8-9H2,1-4H3
InChIKeyUZNGAOWJFNZOJH-UHFFFAOYSA-N
MW307.33 g/mol
LogP4.31
Rot. Bonds6

About 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-N,4-dimethylpentan-1-amine

1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-N,4-dimethylpentan-1-amine (PubChem CID 103032263) has the molecular formula C15H21F4NO and a molecular weight of 307.33 g/mol. Its IUPAC name is 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-N,4-dimethylpentan-1-amine
PubChem CID103032263
Molecular FormulaC15H21F4NO
Molecular Weight307.33 g/mol
Exact Mass307.16
IUPAC Name1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C15H21F4NO/c1-14(2,21-4)9-8-12(20-3)10-6-5-7-11(13(10)16)15(17,18)19/h5-7,12,20H,8-9H2,1-4H3
InChIKeyUZNGAOWJFNZOJH-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N,4-dimethyl-1-quinoxalin-5-ylpentan-1-amine
CID 103032278
1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031675
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103032302
4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 103031413
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
1-[2,3-bis(trifluoromethyl)phenyl]-N-methylpropan-1-amine
CID 139966105
3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 103026863
1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine
CID 105250334
[1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine
CID 103026706
N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 63890866
2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 116760777
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine
CID 105174760

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-N,4-dimethylpentan-1-amine (CID 103032263) is 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-N,4-dimethylpentan-1-amine is CNC(CCC(C)(C)OC)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-N,4-dimethylpentan-1-amine?
The InChIKey is UZNGAOWJFNZOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4NO/c1-14(2,21-4)9-8-12(20-3)10-6-5-7-11(13(10)16)15(17,18)19/h5-7,12,20H,8-9H2,1-4H3.
What are the key properties of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-N,4-dimethylpentan-1-amine?
1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-N,4-dimethylpentan-1-amine has a molecular weight of 307.33 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 103032263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).