N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine

C14H19FN4 — CID 105167116

IUPACN-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1C)c1cncc(F)c1
InChIInChI=1S/C14H19FN4/c1-3-4-17-13(8-14-18-5-6-19(14)2)11-7-12(15)10-16-9-11/h5-7,9-10,13,17H,3-4,8H2,1-2H3
InChIKeyYOHGMDQCFZNBGF-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.24
Rot. Bonds6

About N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine

N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 105167116) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID105167116
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1C)c1cncc(F)c1
InChIInChI=1S/C14H19FN4/c1-3-4-17-13(8-14-18-5-6-19(14)2)11-7-12(15)10-16-9-11/h5-7,9-10,13,17H,3-4,8H2,1-2H3
InChIKeyYOHGMDQCFZNBGF-UHFFFAOYSA-N
XLogP2.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine
CID 105011526
N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 105113863
N-[1-(4-bromo-3-chlorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011675
N-[1-(3-iodophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011328
N-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011340
1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine
CID 116661087
N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198
N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115804158
N-[1-(5-fluoro-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 62798649
N-[2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63975595
N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 54967240
1-(5-fluoro-3-pyridinyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105102311

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine (CID 105167116) is N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccn1C)c1cncc(F)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is YOHGMDQCFZNBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-3-4-17-13(8-14-18-5-6-19(14)2)11-7-12(15)10-16-9-11/h5-7,9-10,13,17H,3-4,8H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 262.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105167116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).