(1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine

C14H17N3O — CID 78936782

IUPAC(1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
SMILESCc1ccc(OCc2ncccn2)c([C@H](C)N)c1
InChIInChI=1S/C14H17N3O/c1-10-4-5-13(12(8-10)11(2)15)18-9-14-16-6-3-7-17-14/h3-8,11H,9,15H2,1-2H3/t11-/m0/s1
InChIKeyHWVYROKQCJMDNK-NSHDSACASA-N
MW243.31 g/mol
LogP2.38
Rot. Bonds4

About (1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine

(1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine (PubChem CID 78936782) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
PubChem CID78936782
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
SMILESCc1ccc(OCc2ncccn2)c([C@H](C)N)c1
InChIInChI=1S/C14H17N3O/c1-10-4-5-13(12(8-10)11(2)15)18-9-14-16-6-3-7-17-14/h3-8,11H,9,15H2,1-2H3/t11-/m0/s1
InChIKeyHWVYROKQCJMDNK-NSHDSACASA-N
XLogP2.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112649868
(1R)-1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 78936809
1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43505054
(1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936431
1-[2-(methoxymethoxy)-5-methylphenyl]ethanamine
CID 65365858
(1S)-1-[2-[(4-ethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936783
(1R)-1-[2-[(6-methoxy-2-pyridinyl)methoxy]-5-methylphenyl]ethanamine
CID 63992926
(1S)-1-[5-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 63367192
1-[2-[(3-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43504983
(1R)-1-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78936260
(1R)-1-[5-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63367368
1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 60887289

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine (CID 78936782) is (1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine is Cc1ccc(OCc2ncccn2)c([C@H](C)N)c1.
What is the InChIKey of (1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is HWVYROKQCJMDNK-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-5-13(12(8-10)11(2)15)18-9-14-16-6-3-7-17-14/h3-8,11H,9,15H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine?
(1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 78936782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).