N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine

C16H22FN3 — CID 114530047

IUPACN-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
SMILESCCNC(CCc1nccn1C)Cc1ccccc1F
InChIInChI=1S/C16H22FN3/c1-3-18-14(8-9-16-19-10-11-20(16)2)12-13-6-4-5-7-15(13)17/h4-7,10-11,14,18H,3,8-9,12H2,1-2H3
InChIKeyHBBZNEHPYTWKLE-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.71
Rot. Bonds7

About N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine

N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine (PubChem CID 114530047) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
PubChem CID114530047
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
SMILESCCNC(CCc1nccn1C)Cc1ccccc1F
InChIInChI=1S/C16H22FN3/c1-3-18-14(8-9-16-19-10-11-20(16)2)12-13-6-4-5-7-15(13)17/h4-7,10-11,14,18H,3,8-9,12H2,1-2H3
InChIKeyHBBZNEHPYTWKLE-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114530024
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761359
N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 114530055
N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105167284
N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 105187670
N-ethyl-1-(2-fluorophenyl)undecan-2-amine
CID 63416880
N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529913
1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine
CID 105090087
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
1-(2-chloro-3-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105178944
N-ethyl-1-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530517
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530181

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine (CID 114530047) is N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine is CCNC(CCc1nccn1C)Cc1ccccc1F.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
The InChIKey is HBBZNEHPYTWKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-3-18-14(8-9-16-19-10-11-20(16)2)12-13-6-4-5-7-15(13)17/h4-7,10-11,14,18H,3,8-9,12H2,1-2H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine has a molecular weight of 275.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 114530047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).