(1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine

C14H18FN3O — CID 78935716

IUPAC(1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
SMILESCCn1ccnc1COc1cc(F)ccc1[C@@H](C)N
InChIInChI=1S/C14H18FN3O/c1-3-18-7-6-17-14(18)9-19-13-8-11(15)4-5-12(13)10(2)16/h4-8,10H,3,9,16H2,1-2H3/t10-/m1/s1
InChIKeyKOVMHKFYGNGKDQ-SNVBAGLBSA-N
MW263.32 g/mol
LogP2.64
Rot. Bonds5

About (1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine

(1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine (PubChem CID 78935716) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is (1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
PubChem CID78935716
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name(1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
SMILESCCn1ccnc1COc1cc(F)ccc1[C@@H](C)N
InChIInChI=1S/C14H18FN3O/c1-3-18-7-6-17-14(18)9-19-13-8-11(15)4-5-12(13)10(2)16/h4-8,10H,3,9,16H2,1-2H3/t10-/m1/s1
InChIKeyKOVMHKFYGNGKDQ-SNVBAGLBSA-N
XLogP2.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63065305
1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 55109188
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-fluorophenyl]ethanamine
CID 55145919
1-(2,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 79752940
1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107695374
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78936109
(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 78936245
1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64773584
(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 105402600
(1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
CID 55189579
N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640480
(1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 63650710

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine (CID 78935716) is (1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine is CCn1ccnc1COc1cc(F)ccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine?
The InChIKey is KOVMHKFYGNGKDQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-18-7-6-17-14(18)9-19-13-8-11(15)4-5-12(13)10(2)16/h4-8,10H,3,9,16H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine?
(1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine is sourced from PubChem (CID 78935716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).