(1-ethylimidazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanamine

C13H16FN3O — CID 114272954

IUPAC(1-ethylimidazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCCn1cnc(C(N)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C13H16FN3O/c1-3-17-7-11(16-8-17)13(15)9-4-5-12(18-2)10(14)6-9/h4-8,13H,3,15H2,1-2H3
InChIKeyCOSVMSMJDCXTQZ-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.10
Rot. Bonds4

About (1-ethylimidazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanamine

(1-ethylimidazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanamine (PubChem CID 114272954) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is (1-ethylimidazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(1-ethylimidazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanamine
PubChem CID114272954
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name(1-ethylimidazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCCn1cnc(C(N)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C13H16FN3O/c1-3-17-7-11(16-8-17)13(15)9-4-5-12(18-2)10(14)6-9/h4-8,13H,3,15H2,1-2H3
InChIKeyCOSVMSMJDCXTQZ-UHFFFAOYSA-N
XLogP2.10
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474116
(3-fluoro-4-methoxyphenyl)-(6-methyl-2-pyridinyl)methanamine
CID 63555075
3-ethyl-1-(3-fluoro-4-methoxyphenyl)pentan-1-amine
CID 105028399
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 114022962
(5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65101203
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
(3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105144608
2-(3-fluoro-4-methoxyphenyl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107974205
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (1-ethylimidazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanamine (CID 114272954) is (1-ethylimidazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (1-ethylimidazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (1-ethylimidazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanamine is CCn1cnc(C(N)c2ccc(OC)c(F)c2)c1.
What is the InChIKey of (1-ethylimidazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is COSVMSMJDCXTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-3-17-7-11(16-8-17)13(15)9-4-5-12(18-2)10(14)6-9/h4-8,13H,3,15H2,1-2H3.
What are the key properties of (1-ethylimidazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanamine?
(1-ethylimidazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanamine has a molecular weight of 249.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 114272954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).