(1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine

C14H16N2O — CID 83127048

IUPAC(1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine
SMILESCc1cccc(Oc2ccc([C@H](C)N)nc2)c1
InChIInChI=1S/C14H16N2O/c1-10-4-3-5-12(8-10)17-13-6-7-14(11(2)15)16-9-13/h3-9,11H,15H2,1-2H3/t11-/m0/s1
InChIKeyQVAYBRLBDBQDPZ-NSHDSACASA-N
MW228.29 g/mol
LogP3.20
Rot. Bonds3

About (1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine

(1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine (PubChem CID 83127048) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine
PubChem CID83127048
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine
SMILESCc1cccc(Oc2ccc([C@H](C)N)nc2)c1
InChIInChI=1S/C14H16N2O/c1-10-4-3-5-12(8-10)17-13-6-7-14(11(2)15)16-9-13/h3-9,11H,15H2,1-2H3/t11-/m0/s1
InChIKeyQVAYBRLBDBQDPZ-NSHDSACASA-N
XLogP3.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127124
(1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine
CID 83123599
(1S)-1-[5-(3-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83127697
3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile
CID 83127679
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127673
(1R)-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127768
(1S)-1-(5-quinolin-7-yloxy-2-pyridinyl)ethanamine
CID 107313875
1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride
CID 175550397
5-(3-methylphenoxy)pyridine-2-carbothioamide
CID 113321030
(1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine
CID 83123923
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83123552
(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine
CID 83123438

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine (CID 83127048) is (1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine is Cc1cccc(Oc2ccc([C@H](C)N)nc2)c1.
What is the InChIKey of (1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine?
The InChIKey is QVAYBRLBDBQDPZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-4-3-5-12(8-10)17-13-6-7-14(11(2)15)16-9-13/h3-9,11H,15H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine?
(1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine has a molecular weight of 228.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83127048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).