(5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine

C14H18FN3 — CID 63048979

IUPAC(5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(N)c1cc(F)ccc1C
InChIInChI=1S/C14H18FN3/c1-3-7-18-8-6-17-14(18)13(16)12-9-11(15)5-4-10(12)2/h4-6,8-9,13H,3,7,16H2,1-2H3
InChIKeyWRLRTOUDOXLOBQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.79
Rot. Bonds4

About (5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine

(5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine (PubChem CID 63048979) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine
PubChem CID63048979
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name(5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(N)c1cc(F)ccc1C
InChIInChI=1S/C14H18FN3/c1-3-7-18-8-6-17-14(18)13(16)12-9-11(15)5-4-10(12)2/h4-6,8-9,13H,3,7,16H2,1-2H3
InChIKeyWRLRTOUDOXLOBQ-UHFFFAOYSA-N
XLogP2.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine
CID 61316093
(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
CID 63976483
[(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105219387
(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine
CID 79808047
2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 79751964
N-[(1-ethylimidazol-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63049324
(4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 81278716
(2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine
CID 106689402
(2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine
CID 63974752
2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
CID 66070569
(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 65311695
(1-propylimidazol-2-yl)-quinoxalin-5-ylmethanamine
CID 104615599

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of (5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine (CID 63048979) is (5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine is CCCn1ccnc1C(N)c1cc(F)ccc1C.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine?
The InChIKey is WRLRTOUDOXLOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-7-18-8-6-17-14(18)13(16)12-9-11(15)5-4-10(12)2/h4-6,8-9,13H,3,7,16H2,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine?
(5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine has a molecular weight of 247.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 63048979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).