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

C14H16N2O — CID 30072177

IUPAC(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C14H16N2O/c1-11(15)13-2-4-14(5-3-13)17-10-12-6-8-16-9-7-12/h2-9,11H,10,15H2,1H3/t11-/m1/s1
InChIKeyCNKYXHPCANDLDL-LLVKDONJSA-N
MW228.29 g/mol
LogP2.68
Rot. Bonds4

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

(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine (PubChem CID 30072177) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
PubChem CID30072177
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C14H16N2O/c1-11(15)13-2-4-14(5-3-13)17-10-12-6-8-16-9-7-12/h2-9,11H,10,15H2,1H3/t11-/m1/s1
InChIKeyCNKYXHPCANDLDL-LLVKDONJSA-N
XLogP2.68
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753
(1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 63367548
4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63888851
ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine
CID 154659540
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78933049
1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine
CID 117052240
(1S)-1-[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]ethanamine
CID 113454075
(1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30110379
1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
CID 113323114
(1R)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 30121102
3-amino-2-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3-pyridin-4-ylpropanenitrile
CID 129277038
N-(1-amino-1-oxopropan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 20768706

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine (CID 30072177) is (1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine is C[C@@H](N)c1ccc(OCc2ccncc2)cc1.
What is the InChIKey of (1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine?
The InChIKey is CNKYXHPCANDLDL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11(15)13-2-4-14(5-3-13)17-10-12-6-8-16-9-7-12/h2-9,11H,10,15H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine?
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine has a molecular weight of 228.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 30072177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).