1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine

C18H22N2O — CID 114521652

IUPAC1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
SMILESCCNC(Cc1ccncc1)c1cccc(OC2CC2)c1
InChIInChI=1S/C18H22N2O/c1-2-20-18(12-14-8-10-19-11-9-14)15-4-3-5-17(13-15)21-16-6-7-16/h3-5,8-11,13,16,18,20H,2,6-7,12H2,1H3
InChIKeyJAKMYVPTJGOBBB-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.52
Rot. Bonds7

About 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine

1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine (PubChem CID 114521652) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
PubChem CID114521652
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
SMILESCCNC(Cc1ccncc1)c1cccc(OC2CC2)c1
InChIInChI=1S/C18H22N2O/c1-2-20-18(12-14-8-10-19-11-9-14)15-4-3-5-17(13-15)21-16-6-7-16/h3-5,8-11,13,16,18,20H,2,6-7,12H2,1H3
InChIKeyJAKMYVPTJGOBBB-UHFFFAOYSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 114519365
N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 114521537
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
CID 114521821
2-cyclopentyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 105051728
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902
1-(3-cyclopropyloxyphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 114521648
1-(3-cyclopropyloxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547261
1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114521865
2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 114521755
N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105188541
1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105051932
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine (CID 114521652) is 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine is CCNC(Cc1ccncc1)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine?
The InChIKey is JAKMYVPTJGOBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-20-18(12-14-8-10-19-11-9-14)15-4-3-5-17(13-15)21-16-6-7-16/h3-5,8-11,13,16,18,20H,2,6-7,12H2,1H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine?
1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine has a molecular weight of 282.39 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 114521652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).