3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride

C15H19ClN2O2 — CID 142659872

IUPAC3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride
SMILESCOc1ccc(OC(CCN)c2ccncc2)cc1.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-18-13-2-4-14(5-3-13)19-15(6-9-16)12-7-10-17-11-8-12;/h2-5,7-8,10-11,15H,6,9,16H2,1H3;1H
InChIKeySLVIPVWBJYTQAK-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.98
Rot. Bonds6

About 3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride

3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride (PubChem CID 142659872) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride
PubChem CID142659872
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride
SMILESCOc1ccc(OC(CCN)c2ccncc2)cc1.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-18-13-2-4-14(5-3-13)19-15(6-9-16)12-7-10-17-11-8-12;/h2-5,7-8,10-11,15H,6,9,16H2,1H3;1H
InChIKeySLVIPVWBJYTQAK-UHFFFAOYSA-N
XLogP2.98
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine
CID 112501785
3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine
CID 10177883
(3S)-3-phenoxy-3-phenylpropan-1-amine
CID 11736303
2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine
CID 104706773
(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 3058750
3-(4-ethylphenoxy)-3-phenylpropan-1-amine
CID 112501685
(1R)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171200262
(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171219797
2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine
CID 83232517
2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine
CID 112509074
3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine
CID 82542752
(3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine
CID 899124

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride (CID 142659872) is 3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride is COc1ccc(OC(CCN)c2ccncc2)cc1.Cl.
What is the InChIKey of 3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride?
The InChIKey is SLVIPVWBJYTQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.ClH/c1-18-13-2-4-14(5-3-13)19-15(6-9-16)12-7-10-17-11-8-12;/h2-5,7-8,10-11,15H,6,9,16H2,1H3;1H.
What are the key properties of 3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride?
3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 142659872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).