(1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine

C16H20N2O — CID 78937530

IUPAC(1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCCc2ccccn2)cc1
InChIInChI=1S/C16H20N2O/c1-2-16(17)13-6-8-15(9-7-13)19-12-10-14-5-3-4-11-18-14/h3-9,11,16H,2,10,12,17H2,1H3/t16-/m1/s1
InChIKeyIWKULCRAWPNHSP-MRXNPFEDSA-N
MW256.35 g/mol
LogP3.11
Rot. Bonds6

About (1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine

(1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine (PubChem CID 78937530) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine
PubChem CID78937530
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCCc2ccccn2)cc1
InChIInChI=1S/C16H20N2O/c1-2-16(17)13-6-8-15(9-7-13)19-12-10-14-5-3-4-11-18-14/h3-9,11,16H,2,10,12,17H2,1H3/t16-/m1/s1
InChIKeyIWKULCRAWPNHSP-MRXNPFEDSA-N
XLogP3.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-(4-ethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105121774
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821
(1R)-1-[5-(2-pyridin-2-ylethoxy)-2-pyridinyl]ethanamine
CID 83123919
1-[5-(2-pyridin-2-ylethoxy)-2-pyridinyl]ethanamine
CID 83123756
(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 113355509
1-[5-(2-pyridin-2-ylethoxy)-2-pyridinyl]propan-2-amine
CID 79799428
(1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine
CID 102999817
4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline
CID 43366212
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
(1S)-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
CID 79014746
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine (CID 78937530) is (1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine is CC[C@@H](N)c1ccc(OCCc2ccccn2)cc1.
What is the InChIKey of (1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine?
The InChIKey is IWKULCRAWPNHSP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-16(17)13-6-8-15(9-7-13)19-12-10-14-5-3-4-11-18-14/h3-9,11,16H,2,10,12,17H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine?
(1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 78937530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).