(1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine

C15H18N2O2 — CID 30110379

IUPAC(1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine
SMILESCOc1cc([C@@H](C)N)ccc1OCc1ccncc1
InChIInChI=1S/C15H18N2O2/c1-11(16)13-3-4-14(15(9-13)18-2)19-10-12-5-7-17-8-6-12/h3-9,11H,10,16H2,1-2H3/t11-/m1/s1
InChIKeyVUCRDFSEQMYSGW-LLVKDONJSA-N
MW258.32 g/mol
LogP2.69
Rot. Bonds5

About (1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine

(1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine (PubChem CID 30110379) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine
PubChem CID30110379
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine
SMILESCOc1cc([C@@H](C)N)ccc1OCc1ccncc1
InChIInChI=1S/C15H18N2O2/c1-11(16)13-3-4-14(15(9-13)18-2)19-10-12-5-7-17-8-6-12/h3-9,11H,10,16H2,1-2H3/t11-/m1/s1
InChIKeyVUCRDFSEQMYSGW-LLVKDONJSA-N
XLogP2.69
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine
CID 78936400
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43275392
(1S)-1-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 78930977
1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 51086161
1-amino-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852194
3-[[4-(1-aminoethyl)-2-methoxyphenoxy]methyl]benzonitrile
CID 60878074
(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 78936245
1-[3-methoxy-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61497402
1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63021499

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine (CID 30110379) is (1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine is COc1cc([C@@H](C)N)ccc1OCc1ccncc1.
What is the InChIKey of (1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine?
The InChIKey is VUCRDFSEQMYSGW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(16)13-3-4-14(15(9-13)18-2)19-10-12-5-7-17-8-6-12/h3-9,11H,10,16H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine?
(1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine has a molecular weight of 258.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 30110379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).