N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine

C17H22N2O2 — CID 62290181

IUPACN-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(OCCOc2ccccc2)ccn1
InChIInChI=1S/C17H22N2O2/c1-14(2)19-13-15-12-17(8-9-18-15)21-11-10-20-16-6-4-3-5-7-16/h3-9,12,14,19H,10-11,13H2,1-2H3
InChIKeyOAHRWSYDSSWXKH-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.04
Rot. Bonds8

About N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine

N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62290181) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID62290181
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(OCCOc2ccccc2)ccn1
InChIInChI=1S/C17H22N2O2/c1-14(2)19-13-15-12-17(8-9-18-15)21-11-10-20-16-6-4-3-5-7-16/h3-9,12,14,19H,10-11,13H2,1-2H3
InChIKeyOAHRWSYDSSWXKH-UHFFFAOYSA-N
XLogP3.04
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62292139
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 104566433
N-[[4-(3-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62297099
N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62323756
N-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 62288971
N-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62297273
N-[[4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]propan-2-amine
CID 62287531
N-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 62290861
N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62295672
N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943
N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296181
N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 55058387

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine (CID 62290181) is N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cc(OCCOc2ccccc2)ccn1.
What is the InChIKey of N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is OAHRWSYDSSWXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-14(2)19-13-15-12-17(8-9-18-15)21-11-10-20-16-6-4-3-5-7-16/h3-9,12,14,19H,10-11,13H2,1-2H3.
What are the key properties of N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 286.38 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62290181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).