N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine

C17H22N2O — CID 62296784

IUPACN-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1Oc1cc(C)ccc1C
InChIInChI=1S/C17H22N2O/c1-4-9-18-12-15-6-5-10-19-17(15)20-16-11-13(2)7-8-14(16)3/h5-8,10-11,18H,4,9,12H2,1-3H3
InChIKeyBMLOKPRGYYZFIC-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.99
Rot. Bonds6

About N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62296784) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62296784
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1Oc1cc(C)ccc1C
InChIInChI=1S/C17H22N2O/c1-4-9-18-12-15-6-5-10-19-17(15)20-16-11-13(2)7-8-14(16)3/h5-8,10-11,18H,4,9,12H2,1-3H3
InChIKeyBMLOKPRGYYZFIC-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-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
N-[[2-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 107660753
N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 62296510
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
N-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64854495
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
N-[[2-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297843
N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62296086
N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 65201336
N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63685132
N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62292023
2-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296801

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine (CID 62296784) is N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cccnc1Oc1cc(C)ccc1C.
What is the InChIKey of N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is BMLOKPRGYYZFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-9-18-12-15-6-5-10-19-17(15)20-16-11-13(2)7-8-14(16)3/h5-8,10-11,18H,4,9,12H2,1-3H3.
What are the key properties of N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[2-(2,5-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-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62296784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).