N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine

C15H20FN3O — CID 102882783

IUPACN-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncc[nH]1)c1ccc(OC)cc1F
InChIInChI=1S/C15H20FN3O/c1-3-6-17-14(10-15-18-7-8-19-15)12-5-4-11(20-2)9-13(12)16/h4-5,7-9,14,17H,3,6,10H2,1-2H3,(H,18,19)
InChIKeyOVPRWQJQBNWVHL-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.84
Rot. Bonds7

About N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine

N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine (PubChem CID 102882783) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
PubChem CID102882783
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncc[nH]1)c1ccc(OC)cc1F
InChIInChI=1S/C15H20FN3O/c1-3-6-17-14(10-15-18-7-8-19-15)12-5-4-11(20-2)9-13(12)16/h4-5,7-9,14,17H,3,6,10H2,1-2H3,(H,18,19)
InChIKeyOVPRWQJQBNWVHL-UHFFFAOYSA-N
XLogP2.84
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498011
N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 81304178
N-[1-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 107950457
N-[1-(4-bromo-2-methylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43629894
1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine
CID 43561596
N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
CID 81302393
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81305365
N-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498082
N-[1-(2,5-dibromothiophen-3-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 114021154
N-[1-(3-chlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498055
N-[2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
CID 113260289
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 81304833

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine (CID 102882783) is N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ncc[nH]1)c1ccc(OC)cc1F.
What is the InChIKey of N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is OVPRWQJQBNWVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-3-6-17-14(10-15-18-7-8-19-15)12-5-4-11(20-2)9-13(12)16/h4-5,7-9,14,17H,3,6,10H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 277.34 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102882783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).