N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine

C17H22N2O — CID 60892832

IUPACN-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1OCCc1ccncc1
InChIInChI=1S/C17H22N2O/c1-14(2)19-13-16-5-3-4-6-17(16)20-12-9-15-7-10-18-11-8-15/h3-8,10-11,14,19H,9,12-13H2,1-2H3
InChIKeyGWSDVLJTIAOVDX-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.20
Rot. Bonds7

About N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine

N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine (PubChem CID 60892832) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine
PubChem CID60892832
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1OCCc1ccncc1
InChIInChI=1S/C17H22N2O/c1-14(2)19-13-16-5-3-4-6-17(16)20-12-9-15-7-10-18-11-8-15/h3-8,10-11,14,19H,9,12-13H2,1-2H3
InChIKeyGWSDVLJTIAOVDX-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60892643
1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
CID 54930799
N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114527122
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 46736198
N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine
CID 62442654
N-[[2-[2-(2-propan-2-yloxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455414
N-[[2-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 82007247
N-[[2-(3-methylsulfonylpropoxy)phenyl]methyl]propan-2-amine
CID 55160594
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[(2-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 43283723
N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine
CID 105075109
N-[[2-[(4-ethylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63500787

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine (CID 60892832) is N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1OCCc1ccncc1.
What is the InChIKey of N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is GWSDVLJTIAOVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-14(2)19-13-16-5-3-4-6-17(16)20-12-9-15-7-10-18-11-8-15/h3-8,10-11,14,19H,9,12-13H2,1-2H3.
What are the key properties of N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine?
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 60892832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).