1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride

C14H17ClN2O — CID 175550397

IUPAC1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride
SMILESCc1ccc(Oc2cccc(C(C)N)c2)cn1.Cl
InChIInChI=1S/C14H16N2O.ClH/c1-10-6-7-14(9-16-10)17-13-5-3-4-12(8-13)11(2)15;/h3-9,11H,15H2,1-2H3;1H
InChIKeyAJPIPGXNQDRBQP-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.62
Rot. Bonds3

About 1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride

1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride (PubChem CID 175550397) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride
PubChem CID175550397
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride
SMILESCc1ccc(Oc2cccc(C(C)N)c2)cn1.Cl
InChIInChI=1S/C14H16N2O.ClH/c1-10-6-7-14(9-16-10)17-13-5-3-4-12(8-13)11(2)15;/h3-9,11H,15H2,1-2H3;1H
InChIKeyAJPIPGXNQDRBQP-UHFFFAOYSA-N
XLogP3.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 63369986
(1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127124
1-[3-(4-methoxyphenoxy)phenyl]ethanamine
CID 79016052
(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938373
(1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938383
(1S)-1-[2-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 169081096
(1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127048
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine
CID 107665344
2-chloro-5-(3-propan-2-ylphenoxy)pyridine
CID 82225199

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride?
The IUPAC name of 1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride (CID 175550397) is 1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride?
The canonical SMILES for 1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride is Cc1ccc(Oc2cccc(C(C)N)c2)cn1.Cl.
What is the InChIKey of 1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride?
The InChIKey is AJPIPGXNQDRBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.ClH/c1-10-6-7-14(9-16-10)17-13-5-3-4-12(8-13)11(2)15;/h3-9,11H,15H2,1-2H3;1H.
What are the key properties of 1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride?
1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride has a molecular weight of 264.76 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 175550397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).