(1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine

C16H20N2O2 — CID 78936400

IUPAC(1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine
SMILESCOc1cc([C@H](C)N)ccc1OCCc1ccncc1
InChIInChI=1S/C16H20N2O2/c1-12(17)14-3-4-15(16(11-14)19-2)20-10-7-13-5-8-18-9-6-13/h3-6,8-9,11-12H,7,10,17H2,1-2H3/t12-/m0/s1
InChIKeyOLFNLSMBFUMPPX-LBPRGKRZSA-N
MW272.35 g/mol
LogP2.73
Rot. Bonds6

About (1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine

(1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine (PubChem CID 78936400) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine
PubChem CID78936400
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine
SMILESCOc1cc([C@H](C)N)ccc1OCCc1ccncc1
InChIInChI=1S/C16H20N2O2/c1-12(17)14-3-4-15(16(11-14)19-2)20-10-7-13-5-8-18-9-6-13/h3-6,8-9,11-12H,7,10,17H2,1-2H3/t12-/m0/s1
InChIKeyOLFNLSMBFUMPPX-LBPRGKRZSA-N
XLogP2.73
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30110379
[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine
CID 60892245
(1R)-1-[3-methoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 102999803
(1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006438
(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
CID 80699992
1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
(1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 103939561
5-[4-(1-aminoethyl)-2-methoxyphenoxy]pentanenitrile
CID 54966259
(1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine
CID 113374141
2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol
CID 110908334
(1S)-1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 78932669

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine (CID 78936400) is (1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine is COc1cc([C@H](C)N)ccc1OCCc1ccncc1.
What is the InChIKey of (1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine?
The InChIKey is OLFNLSMBFUMPPX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(17)14-3-4-15(16(11-14)19-2)20-10-7-13-5-8-18-9-6-13/h3-6,8-9,11-12H,7,10,17H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine?
(1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 78936400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).