N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine

C17H22N2O — CID 43495177

IUPACN-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(OCC)cc1)c1cccnc1
InChIInChI=1S/C17H22N2O/c1-3-11-19-17(15-6-5-12-18-13-15)14-7-9-16(10-8-14)20-4-2/h5-10,12-13,17,19H,3-4,11H2,1-2H3
InChIKeyCMUWCJFUPTVRIR-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.57
Rot. Bonds7

About N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine

N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine (PubChem CID 43495177) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine
PubChem CID43495177
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(OCC)cc1)c1cccnc1
InChIInChI=1S/C17H22N2O/c1-3-11-19-17(15-6-5-12-18-13-15)14-7-9-16(10-8-14)20-4-2/h5-10,12-13,17,19H,3-4,11H2,1-2H3
InChIKeyCMUWCJFUPTVRIR-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43494512
N-[(4-ethoxyphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022903
N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81209832
N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 62791362
4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500203
N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine
CID 105098192
N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63990259
N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 105043493
N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819950
N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 61064118
N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 103374852
N-[(6-methoxypyrimidin-4-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 102952423

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine (CID 43495177) is N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine is CCCNC(c1ccc(OCC)cc1)c1cccnc1.
What is the InChIKey of N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine?
The InChIKey is CMUWCJFUPTVRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-11-19-17(15-6-5-12-18-13-15)14-7-9-16(10-8-14)20-4-2/h5-10,12-13,17,19H,3-4,11H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine?
N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 43495177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).