N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine

C17H22N2O — CID 61064118

IUPACN-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(OC)cc1)c1cccnc1
InChIInChI=1S/C17H22N2O/c1-3-10-19-17(15-5-4-11-18-13-15)12-14-6-8-16(20-2)9-7-14/h4-9,11,13,17,19H,3,10,12H2,1-2H3
InChIKeyOSBDGCYUGPRMDM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.37
Rot. Bonds7

About N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine

N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine (PubChem CID 61064118) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
PubChem CID61064118
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(OC)cc1)c1cccnc1
InChIInChI=1S/C17H22N2O/c1-3-10-19-17(15-5-4-11-18-13-15)12-14-6-8-16(20-2)9-7-14/h4-9,11,13,17,19H,3,10,12H2,1-2H3
InChIKeyOSBDGCYUGPRMDM-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 60818849
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 60799452
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 107504138
methyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235647
N-[1-(6-methoxypyridazin-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 103374712
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine
CID 62797242
N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 79700355
N-[1-(4-methoxyphenyl)propan-2-yl]pyridin-3-amine
CID 43508676
N-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine
CID 146145822
N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43495177

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine (CID 61064118) is N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine is CCCNC(Cc1ccc(OC)cc1)c1cccnc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is OSBDGCYUGPRMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-10-19-17(15-5-4-11-18-13-15)12-14-6-8-16(20-2)9-7-14/h4-9,11,13,17,19H,3,10,12H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine?
N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 61064118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).