N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine

C18H24N2O — CID 115464435

IUPACN-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccccc1COc1ccc(C)nc1
InChIInChI=1S/C18H24N2O/c1-3-11-19-12-10-16-6-4-5-7-17(16)14-21-18-9-8-15(2)20-13-18/h4-9,13,19H,3,10-12,14H2,1-2H3
InChIKeyXFKYRBNZPYLDPW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.51
Rot. Bonds8

About N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine

N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine (PubChem CID 115464435) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine
PubChem CID115464435
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccccc1COc1ccc(C)nc1
InChIInChI=1S/C18H24N2O/c1-3-11-19-12-10-16-6-4-5-7-17(16)14-21-18-9-8-15(2)20-13-18/h4-9,13,19H,3,10-12,14H2,1-2H3
InChIKeyXFKYRBNZPYLDPW-UHFFFAOYSA-N
XLogP3.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.51
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-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 80729782
N-[[2-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62441237
N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine
CID 113314833
2-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-ethylethanamine
CID 115464941
N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine
CID 115465015
2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 62073745
2-[(6-methyl-3-pyridinyl)oxymethyl]benzohydrazide
CID 63568937
N-ethyl-2-[2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]ethanamine
CID 115465118
5-butoxy-2-methylpyridine
CID 13154052
2-ethoxy-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 62583085
N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 62440305
5-ethoxy-2-methylpyridine
CID 573198

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine (CID 115464435) is N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine is CCCNCCc1ccccc1COc1ccc(C)nc1.
What is the InChIKey of N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine?
The InChIKey is XFKYRBNZPYLDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-11-19-12-10-16-6-4-5-7-17(16)14-21-18-9-8-15(2)20-13-18/h4-9,13,19H,3,10-12,14H2,1-2H3.
What are the key properties of N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine?
N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 115464435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).