N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine

C15H18N2O — CID 62295599

IUPACN-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cccnc1Oc1ccccc1
InChIInChI=1S/C15H18N2O/c1-2-10-16-12-13-7-6-11-17-15(13)18-14-8-4-3-5-9-14/h3-9,11,16H,2,10,12H2,1H3
InChIKeyYOKCOPHXNKBBRB-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.37
Rot. Bonds6

About N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine

N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 62295599) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID62295599
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cccnc1Oc1ccccc1
InChIInChI=1S/C15H18N2O/c1-2-10-16-12-13-7-6-11-17-15(13)18-14-8-4-3-5-9-14/h3-9,11,16H,2,10,12H2,1H3
InChIKeyYOKCOPHXNKBBRB-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.37
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-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 62296510
N-methyl-1-(2-phenoxy-3-pyridinyl)methanamine
CID 53185088
N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 65201336
N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 116803075
N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296784
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291948
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63685132
1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea
CID 53185078
N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62292023
N-[[2-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 107660753

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine (CID 62295599) is N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine is CCCNCc1cccnc1Oc1ccccc1.
What is the InChIKey of N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is YOKCOPHXNKBBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-10-16-12-13-7-6-11-17-15(13)18-14-8-4-3-5-9-14/h3-9,11,16H,2,10,12H2,1H3.
What are the key properties of N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine?
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 242.32 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 62295599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).