(1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine

C14H16N2O — CID 63369986

IUPAC(1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
SMILESCc1ccc(Oc2ccc([C@H](C)N)cc2)cn1
InChIInChI=1S/C14H16N2O/c1-10-3-6-14(9-16-10)17-13-7-4-12(5-8-13)11(2)15/h3-9,11H,15H2,1-2H3/t11-/m0/s1
InChIKeyMPAWYIUMHYVLRR-NSHDSACASA-N
MW228.29 g/mol
LogP3.20
Rot. Bonds3

About (1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine

(1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine (PubChem CID 63369986) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
PubChem CID63369986
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
SMILESCc1ccc(Oc2ccc([C@H](C)N)cc2)cn1
InChIInChI=1S/C14H16N2O/c1-10-3-6-14(9-16-10)17-13-7-4-12(5-8-13)11(2)15/h3-9,11H,15H2,1-2H3/t11-/m0/s1
InChIKeyMPAWYIUMHYVLRR-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

1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride
CID 175550397
(1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938383
(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938373
(1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 169081096
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
(1R)-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127768
1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine
CID 16643300
1-[(6-methyl-3-pyridinyl)oxy]propan-2-amine
CID 102689433
2-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 55239141
O-(6-methyl-3-pyridinyl)hydroxylamine
CID 143778365
N-chloro-4-[(6-methyl-3-pyridinyl)oxy]aniline
CID 141149124
1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116792884

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine (CID 63369986) is (1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine is Cc1ccc(Oc2ccc([C@H](C)N)cc2)cn1.
What is the InChIKey of (1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine?
The InChIKey is MPAWYIUMHYVLRR-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-3-6-14(9-16-10)17-13-7-4-12(5-8-13)11(2)15/h3-9,11H,15H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine?
(1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]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-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine is sourced from PubChem (CID 63369986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).