(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine

C18H24FN3O2 — CID 129483597

IUPAC(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
SMILESCOc1ccc(CN[C@@H](c2nccn2C)C2CCOCC2)cc1F
InChIInChI=1S/C18H24FN3O2/c1-22-8-7-20-18(22)17(14-5-9-24-10-6-14)21-12-13-3-4-16(23-2)15(19)11-13/h3-4,7-8,11,14,17,21H,5-6,9-10,12H2,1-2H3/t17-/m1/s1
InChIKeyJAHKRBBZJDEGOO-QGZVFWFLSA-N
MW333.41 g/mol
LogP2.83
Rot. Bonds6

About (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine

(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine (PubChem CID 129483597) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
PubChem CID129483597
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
SMILESCOc1ccc(CN[C@@H](c2nccn2C)C2CCOCC2)cc1F
InChIInChI=1S/C18H24FN3O2/c1-22-8-7-20-18(22)17(14-5-9-24-10-6-14)21-12-13-3-4-16(23-2)15(19)11-13/h3-4,7-8,11,14,17,21H,5-6,9-10,12H2,1-2H3/t17-/m1/s1
InChIKeyJAHKRBBZJDEGOO-QGZVFWFLSA-N
XLogP2.83
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine?
The IUPAC name of (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine (CID 129483597) is (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine.
What is the SMILES notation for (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine?
The canonical SMILES for (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine is COc1ccc(CN[C@@H](c2nccn2C)C2CCOCC2)cc1F.
What is the InChIKey of (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine?
The InChIKey is JAHKRBBZJDEGOO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-22-8-7-20-18(22)17(14-5-9-24-10-6-14)21-12-13-3-4-16(23-2)15(19)11-13/h3-4,7-8,11,14,17,21H,5-6,9-10,12H2,1-2H3/t17-/m1/s1.
What are the key properties of (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine?
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine has a molecular weight of 333.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 129483597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).