(1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine

C13H16FN3 — CID 81348318

IUPAC(1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CN[C@@H](C)c2ccc(F)cc2)[nH]1
InChIInChI=1S/C13H16FN3/c1-9(11-3-5-12(14)6-4-11)15-7-13-8-16-10(2)17-13/h3-6,8-9,15H,7H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyCHKAQKOKIHUOJF-VIFPVBQESA-N
MW233.29 g/mol
LogP2.71
Rot. Bonds4

About (1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine

(1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine (PubChem CID 81348318) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
PubChem CID81348318
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name(1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CN[C@@H](C)c2ccc(F)cc2)[nH]1
InChIInChI=1S/C13H16FN3/c1-9(11-3-5-12(14)6-4-11)15-7-13-8-16-10(2)17-13/h3-6,8-9,15H,7H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyCHKAQKOKIHUOJF-VIFPVBQESA-N
XLogP2.71
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63001836
(1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 81403640
2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 55114310
2-[(2-methyl-1H-imidazol-5-yl)methylamino]propanenitrile
CID 156893042
(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81348280
2-[(2-methyl-1H-imidazol-5-yl)methylamino]propane-1,3-diol
CID 65312594
2-[(2-methyl-1H-imidazol-5-yl)methylamino]propanoic acid
CID 62743108
(1R)-1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880962
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284818
N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109262
1-(2,4-difluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 55114176

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine (CID 81348318) is (1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine is Cc1ncc(CN[C@@H](C)c2ccc(F)cc2)[nH]1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
The InChIKey is CHKAQKOKIHUOJF-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16FN3/c1-9(11-3-5-12(14)6-4-11)15-7-13-8-16-10(2)17-13/h3-6,8-9,15H,7H2,1-2H3,(H,16,17)/t9-/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
(1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 81348318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).