(1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine

C16H20N2O — CID 83127124

IUPAC(1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
SMILESCC(C)c1cccc(Oc2ccc([C@@H](C)N)nc2)c1
InChIInChI=1S/C16H20N2O/c1-11(2)13-5-4-6-14(9-13)19-15-7-8-16(12(3)17)18-10-15/h4-12H,17H2,1-3H3/t12-/m1/s1
InChIKeyPSIGLEXLASINJG-GFCCVEGCSA-N
MW256.35 g/mol
LogP4.02
Rot. Bonds4

About (1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine

(1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine (PubChem CID 83127124) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
PubChem CID83127124
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
SMILESCC(C)c1cccc(Oc2ccc([C@@H](C)N)nc2)c1
InChIInChI=1S/C16H20N2O/c1-11(2)13-5-4-6-14(9-13)19-15-7-8-16(12(3)17)18-10-15/h4-12H,17H2,1-3H3/t12-/m1/s1
InChIKeyPSIGLEXLASINJG-GFCCVEGCSA-N
XLogP4.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127048
(1R)-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127768
(1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine
CID 83123599
(1S)-1-[5-(3-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83127697
3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile
CID 83127679
2-chloro-5-(3-propan-2-ylphenoxy)pyridine
CID 82225199
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride
CID 175550397
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
(1S)-1-(5-quinolin-7-yloxy-2-pyridinyl)ethanamine
CID 107313875
(1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine
CID 83123923

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine (CID 83127124) is (1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine is CC(C)c1cccc(Oc2ccc([C@@H](C)N)nc2)c1.
What is the InChIKey of (1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine?
The InChIKey is PSIGLEXLASINJG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(2)13-5-4-6-14(9-13)19-15-7-8-16(12(3)17)18-10-15/h4-12H,17H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine?
(1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83127124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).