(3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine

C17H22N2O — CID 82730762

IUPAC(3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCCc1cccnc1C(N)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H22N2O/c1-4-13-8-6-10-19-17(13)16(18)14-7-5-9-15(11-14)20-12(2)3/h5-12,16H,4,18H2,1-3H3
InChIKeyQUPUXOPPJPUIOZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.48
Rot. Bonds5

About (3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine

(3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 82730762) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
PubChem CID82730762
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCCc1cccnc1C(N)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H22N2O/c1-4-13-8-6-10-19-17(13)16(18)14-7-5-9-15(11-14)20-12(2)3/h5-12,16H,4,18H2,1-3H3
InChIKeyQUPUXOPPJPUIOZ-UHFFFAOYSA-N
XLogP3.48
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82729975
(3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105018973
2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine
CID 82730296
(3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105171352
(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 61331308
furan-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 62919979
(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine
CID 115827027
(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
CID 114877931
N-[(3-ethyl-2-pyridinyl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 82732206
(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 62920659
1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 79016250
(2-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82729596

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine (CID 82730762) is (3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine is CCc1cccnc1C(N)c1cccc(OC(C)C)c1.
What is the InChIKey of (3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is QUPUXOPPJPUIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-13-8-6-10-19-17(13)16(18)14-7-5-9-15(11-14)20-12(2)3/h5-12,16H,4,18H2,1-3H3.
What are the key properties of (3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine?
(3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 270.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 82730762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).