[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine

C15H18N2O2 — CID 60892245

IUPAC[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine
SMILESCOc1cc(CN)ccc1OCCc1ccncc1
InChIInChI=1S/C15H18N2O2/c1-18-15-10-13(11-16)2-3-14(15)19-9-6-12-4-7-17-8-5-12/h2-5,7-8,10H,6,9,11,16H2,1H3
InChIKeyGWVPJEFMUKBCHE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.17
Rot. Bonds6

About [3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine

[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine (PubChem CID 60892245) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine
PubChem CID60892245
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine
SMILESCOc1cc(CN)ccc1OCCc1ccncc1
InChIInChI=1S/C15H18N2O2/c1-18-15-10-13(11-16)2-3-14(15)19-9-6-12-4-7-17-8-5-12/h2-5,7-8,10H,6,9,11,16H2,1H3
InChIKeyGWVPJEFMUKBCHE-UHFFFAOYSA-N
XLogP2.17
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
(1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine
CID 78936400
[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
CID 7139503
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
[3-nitro-4-(2-pyridin-4-ylethoxy)phenyl]methanamine
CID 60891665
[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 22683713
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine
CID 22681699
[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
CID 22685843
4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891318
4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine
CID 104707451
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine?
The IUPAC name of [3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine (CID 60892245) is [3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine.
What is the SMILES notation for [3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine?
The canonical SMILES for [3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine is COc1cc(CN)ccc1OCCc1ccncc1.
What is the InChIKey of [3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine?
The InChIKey is GWVPJEFMUKBCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-15-10-13(11-16)2-3-14(15)19-9-6-12-4-7-17-8-5-12/h2-5,7-8,10H,6,9,11,16H2,1H3.
What are the key properties of [3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine?
[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine has a molecular weight of 258.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 60892245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).