N-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine

C16H22FN3O — CID 81289391

IUPACN-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(OC)c1)c1nccn1CC
InChIInChI=1S/C16H22FN3O/c1-4-8-18-15(16-19-9-10-20(16)5-2)12-6-7-13(17)14(11-12)21-3/h6-7,9-11,15,18H,4-5,8H2,1-3H3
InChIKeyRQDJUUKUWHWBFV-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.14
Rot. Bonds7

About N-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine

N-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine (PubChem CID 81289391) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
PubChem CID81289391
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(OC)c1)c1nccn1CC
InChIInChI=1S/C16H22FN3O/c1-4-8-18-15(16-19-9-10-20(16)5-2)12-6-7-13(17)14(11-12)21-3/h6-7,9-11,15,18H,4-5,8H2,1-3H3
InChIKeyRQDJUUKUWHWBFV-UHFFFAOYSA-N
XLogP3.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 107992682
N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317745
N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 61314643
N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61318759
N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
CID 115789718
N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 82800505
N-[(1-ethylimidazol-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63049324
N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 81283095
N-[(3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 107945889
N-[(1-ethylimidazol-2-yl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79684646
N-[(3-methoxy-4-pyridinyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 105064357
N-[(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 103215312

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine (CID 81289391) is N-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(OC)c1)c1nccn1CC.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is RQDJUUKUWHWBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-4-8-18-15(16-19-9-10-20(16)5-2)12-6-7-13(17)14(11-12)21-3/h6-7,9-11,15,18H,4-5,8H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
N-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 291.37 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 81289391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).