1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine

C17H22N2O — CID 43195697

IUPAC1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NCc2ccccn2)cc1
InChIInChI=1S/C17H22N2O/c1-13(2)20-17-9-7-15(8-10-17)14(3)19-12-16-6-4-5-11-18-16/h4-11,13-14,19H,12H2,1-3H3
InChIKeyAUCLEBNYMVSKHF-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.72
Rot. Bonds6

About 1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine

1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 43195697) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID43195697
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NCc2ccccn2)cc1
InChIInChI=1S/C17H22N2O/c1-13(2)20-17-9-7-15(8-10-17)14(3)19-12-16-6-4-5-11-18-16/h4-11,13-14,19H,12H2,1-3H3
InChIKeyAUCLEBNYMVSKHF-UHFFFAOYSA-N
XLogP3.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-yloxyphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62761091
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 43195719
1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62759306
1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43178958
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43195718
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202622
1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43674167
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 106392553
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103907028
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 102976235

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine (CID 43195697) is 1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine is CC(C)Oc1ccc(C(C)NCc2ccccn2)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is AUCLEBNYMVSKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(2)20-17-9-7-15(8-10-17)14(3)19-12-16-6-4-5-11-18-16/h4-11,13-14,19H,12H2,1-3H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine?
1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 43195697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).