N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine

C17H22N2O — CID 81251065

IUPACN-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1Oc1ccc(C)c(C)c1
InChIInChI=1S/C17H22N2O/c1-4-8-18-11-15-12-19-9-7-17(15)20-16-6-5-13(2)14(3)10-16/h5-7,9-10,12,18H,4,8,11H2,1-3H3
InChIKeyJLNQCQSQJMVRJM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.99
Rot. Bonds6

About N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81251065) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID81251065
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1Oc1ccc(C)c(C)c1
InChIInChI=1S/C17H22N2O/c1-4-8-18-11-15-12-19-9-7-17(15)20-16-6-5-13(2)14(3)10-16/h5-7,9-10,12,18H,4,8,11H2,1-3H3
InChIKeyJLNQCQSQJMVRJM-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075308
N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251291
N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253728
N-[[4-(3,4-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254541
N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253689
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
CID 81250184
N-[[4-(3-bromo-5-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81326386
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184
N-[[4-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 83138141
1-[4-(3-fluoro-4-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 107170649
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250523
N-methyl-1-[4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250777

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine (CID 81251065) is N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnccc1Oc1ccc(C)c(C)c1.
What is the InChIKey of N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is JLNQCQSQJMVRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-8-18-11-15-12-19-9-7-17(15)20-16-6-5-13(2)14(3)10-16/h5-7,9-10,12,18H,4,8,11H2,1-3H3.
What are the key properties of N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81251065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).