N-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine

C14H19FN4O — CID 107717133

IUPACN-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCc2cn(C)nn2)cc1F
InChIInChI=1S/C14H19FN4O/c1-4-16-10(2)13-6-5-12(7-14(13)15)20-9-11-8-19(3)18-17-11/h5-8,10,16H,4,9H2,1-3H3
InChIKeyBBSLANDXRRSWLQ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.20
Rot. Bonds6

About N-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine

N-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine (PubChem CID 107717133) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is N-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine
PubChem CID107717133
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC NameN-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCc2cn(C)nn2)cc1F
InChIInChI=1S/C14H19FN4O/c1-4-16-10(2)13-6-5-12(7-14(13)15)20-9-11-8-19(3)18-17-11/h5-8,10,16H,4,9H2,1-3H3
InChIKeyBBSLANDXRRSWLQ-UHFFFAOYSA-N
XLogP2.20
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 107717110
N-[1-[4-bromo-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 107041724
1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine
CID 107717175
2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline
CID 107040834
1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine
CID 107717524
1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol
CID 107717321
N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 107717423
3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]butan-2-ol
CID 107717129
1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine
CID 107717512
1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043841
2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 107717208
N-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine
CID 107041583

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine (CID 107717133) is N-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine is CCNC(C)c1ccc(OCc2cn(C)nn2)cc1F.
What is the InChIKey of N-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine?
The InChIKey is BBSLANDXRRSWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-4-16-10(2)13-6-5-12(7-14(13)15)20-9-11-8-19(3)18-17-11/h5-8,10,16H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine?
N-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine has a molecular weight of 278.33 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 107717133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).