N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine

C14H17N3O — CID 106504528

IUPACN-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine
SMILESCOc1ccc(NC(C)c2ccc(N)cc2)nc1
InChIInChI=1S/C14H17N3O/c1-10(11-3-5-12(15)6-4-11)17-14-8-7-13(18-2)9-16-14/h3-10H,15H2,1-2H3,(H,16,17)
InChIKeySAFDFNJIUXAMHM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.85
Rot. Bonds4

About N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine

N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine (PubChem CID 106504528) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine
PubChem CID106504528
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine
SMILESCOc1ccc(NC(C)c2ccc(N)cc2)nc1
InChIInChI=1S/C14H17N3O/c1-10(11-3-5-12(15)6-4-11)17-14-8-7-13(18-2)9-16-14/h3-10H,15H2,1-2H3,(H,16,17)
InChIKeySAFDFNJIUXAMHM-UHFFFAOYSA-N
XLogP2.85
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 66244498
N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine
CID 60870794
2-N-(1-pyridin-4-ylethyl)pyridine-2,5-diamine
CID 43524034
N-[1-(furan-2-yl)ethyl]-5-methoxypyridin-2-amine
CID 103932113
2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 106504441
2-[(5-methoxy-2-pyridinyl)amino]propanamide
CID 106503979
N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine
CID 106504285
5-methoxy-N-(4-methoxybutan-2-yl)pyridin-2-amine
CID 103932146
6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrazin-2-amine
CID 80921639
1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine
CID 106504408
4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80851656
N-hexan-2-yl-5-methoxypyridin-2-amine
CID 103932159

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine (CID 106504528) is N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine is COc1ccc(NC(C)c2ccc(N)cc2)nc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine?
The InChIKey is SAFDFNJIUXAMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(11-3-5-12(15)6-4-11)17-14-8-7-13(18-2)9-16-14/h3-10H,15H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine?
N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine is sourced from PubChem (CID 106504528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).