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

C18H24N2O — CID 103175271

IUPACN-[[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Oc2ccc(C)nc2CC)c1
InChIInChI=1S/C18H24N2O/c1-4-11-19-13-15-7-6-8-16(12-15)21-18-10-9-14(3)20-17(18)5-2/h6-10,12,19H,4-5,11,13H2,1-3H3
InChIKeyABZFNHFDILSCGB-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.24
Rot. Bonds7

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

N-[[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-1-amine (PubChem CID 103175271) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-1-amine
PubChem CID103175271
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Oc2ccc(C)nc2CC)c1
InChIInChI=1S/C18H24N2O/c1-4-11-19-13-15-7-6-8-16(12-15)21-18-10-9-14(3)20-17(18)5-2/h6-10,12,19H,4-5,11,13H2,1-3H3
InChIKeyABZFNHFDILSCGB-UHFFFAOYSA-N
XLogP4.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.24
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-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 63942115
N-[[3-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 63944074
N-[[3-(3-bromophenoxy)phenyl]methyl]propan-1-amine
CID 63943681
N-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine
CID 43282324
N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine
CID 103175510
N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine
CID 19069340
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-[[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine
CID 103175249
N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 63943697
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 39368953
2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
CID 79150529
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206261

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-1-amine (CID 103175271) is N-[[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-1-amine is CCCNCc1cccc(Oc2ccc(C)nc2CC)c1.
What is the InChIKey of N-[[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-1-amine?
The InChIKey is ABZFNHFDILSCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-11-19-13-15-7-6-8-16(12-15)21-18-10-9-14(3)20-17(18)5-2/h6-10,12,19H,4-5,11,13H2,1-3H3.
What are the key properties of N-[[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-1-amine?
N-[[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 103175271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).