N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine

C17H20N2O — CID 114521537

IUPACN-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccncc1)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H20N2O/c1-2-19-17(13-8-10-18-11-9-13)14-4-3-5-16(12-14)20-15-6-7-15/h3-5,8-12,15,17,19H,2,6-7H2,1H3
InChIKeyHLIIESHHHPRHHH-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.32
Rot. Bonds6

About N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine

N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine (PubChem CID 114521537) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine
PubChem CID114521537
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccncc1)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H20N2O/c1-2-19-17(13-8-10-18-11-9-13)14-4-3-5-16(12-14)20-15-6-7-15/h3-5,8-12,15,17,19H,2,6-7H2,1H3
InChIKeyHLIIESHHHPRHHH-UHFFFAOYSA-N
XLogP3.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105188541
N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
CID 114521545
1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 114521652
N-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 105051816
N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105188592
N-[(3-cyclopropyloxyphenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969279
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
CID 114521821
N-[(5-bromo-4-methylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
CID 105051665
1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105051932
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902
2-cyclopentyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 105051728

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine?
The IUPAC name of N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine (CID 114521537) is N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine is CCNC(c1ccncc1)c1cccc(OC2CC2)c1.
What is the InChIKey of N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine?
The InChIKey is HLIIESHHHPRHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-19-17(13-8-10-18-11-9-13)14-4-3-5-16(12-14)20-15-6-7-15/h3-5,8-12,15,17,19H,2,6-7H2,1H3.
What are the key properties of N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine?
N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine has a molecular weight of 268.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine is sourced from PubChem (CID 114521537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).