N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine

C15H18N2O2 — CID 104536114

IUPACN-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine
SMILESCCNc1cncc(OCCOc2ccccc2)c1
InChIInChI=1S/C15H18N2O2/c1-2-17-13-10-15(12-16-11-13)19-9-8-18-14-6-4-3-5-7-14/h3-7,10-12,17H,2,8-9H2,1H3
InChIKeyBPTFQNQAAXFYKO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.97
Rot. Bonds7

About N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine

N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine (PubChem CID 104536114) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine
PubChem CID104536114
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine
SMILESCCNc1cncc(OCCOc2ccccc2)c1
InChIInChI=1S/C15H18N2O2/c1-2-17-13-10-15(12-16-11-13)19-9-8-18-14-6-4-3-5-7-14/h3-7,10-12,17H,2,8-9H2,1H3
InChIKeyBPTFQNQAAXFYKO-UHFFFAOYSA-N
XLogP2.97
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine
CID 104533858
N-ethyl-5-octoxypyridin-3-amine
CID 113424296
N-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine
CID 106451443
N-ethyl-5-(3-methylbut-3-enoxy)pyridin-3-amine
CID 114471243
5-(3-phenylpropoxy)-N-propylpyridin-3-amine
CID 104536691
N-ethyl-5-(2-iodophenoxy)pyridin-3-amine
CID 104536566
5-(2-bromophenoxy)-N-ethylpyridin-3-amine
CID 104536174
N-ethyl-5-quinolin-3-yloxypyridin-3-amine
CID 107388436
5-[2-(dimethylamino)-2-methylpropoxy]-N-ethylpyridin-3-amine
CID 104536911
N-ethyl-5-(3-iodophenoxy)pyridin-3-amine
CID 104536529
5-[(4-chlorophenyl)methoxy]-N-ethylpyridin-3-amine
CID 104536863
N-ethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-3-amine
CID 113424373

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine?
The IUPAC name of N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine (CID 104536114) is N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine.
What is the SMILES notation for N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine?
The canonical SMILES for N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine is CCNc1cncc(OCCOc2ccccc2)c1.
What is the InChIKey of N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine?
The InChIKey is BPTFQNQAAXFYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-17-13-10-15(12-16-11-13)19-9-8-18-14-6-4-3-5-7-14/h3-7,10-12,17H,2,8-9H2,1H3.
What are the key properties of N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine?
N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine has a molecular weight of 258.32 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine is sourced from PubChem (CID 104536114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).