N-[2-(2-adamantyloxy)ethyl]-3-(1-phenylethoxy)pyridin-2-amine

C25H32N2O2 — CID 123470032

IUPACN-[2-(2-adamantyloxy)ethyl]-3-(1-phenylethoxy)pyridin-2-amine
SMILESCC(Oc1cccnc1NCCOC1C2CC3CC(C2)CC1C3)c1ccccc1
InChIInChI=1S/C25H32N2O2/c1-17(20-6-3-2-4-7-20)29-23-8-5-9-26-25(23)27-10-11-28-24-21-13-18-12-19(15-21)16-22(24)14-18/h2-9,17-19,21-22,24H,10-16H2,1H3,(H,26,27)
InChIKeyQNYBFIZTLRAAJY-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.47
Rot. Bonds8

About N-[2-(2-adamantyloxy)ethyl]-3-(1-phenylethoxy)pyridin-2-amine

N-[2-(2-adamantyloxy)ethyl]-3-(1-phenylethoxy)pyridin-2-amine (PubChem CID 123470032) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[2-(2-adamantyloxy)ethyl]-3-(1-phenylethoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-adamantyloxy)ethyl]-3-(1-phenylethoxy)pyridin-2-amine
PubChem CID123470032
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-[2-(2-adamantyloxy)ethyl]-3-(1-phenylethoxy)pyridin-2-amine
SMILESCC(Oc1cccnc1NCCOC1C2CC3CC(C2)CC1C3)c1ccccc1
InChIInChI=1S/C25H32N2O2/c1-17(20-6-3-2-4-7-20)29-23-8-5-9-26-25(23)27-10-11-28-24-21-13-18-12-19(15-21)16-22(24)14-18/h2-9,17-19,21-22,24H,10-16H2,1H3,(H,26,27)
InChIKeyQNYBFIZTLRAAJY-UHFFFAOYSA-N
XLogP5.47
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-adamantyloxy)ethyl]-3-(1-phenylethoxy)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-propan-2-yloxy-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 113450392
3-[(1R)-1-phenylethoxy]-N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyridin-2-amine
CID 99784717
3-methoxy-N-(2-phenylpropyl)pyridin-2-amine
CID 113430232
N-butyl-5-[(1S)-1-phenylethoxy]pyrimidin-4-amine
CID 134569132
1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine
CID 106127389
3-(difluoromethoxy)-N-(3-methoxypropyl)pyridin-2-amine
CID 75450414
N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-yloxypyridin-2-amine
CID 102914136
N-[(3-aminocyclohexyl)methyl]-3-propan-2-yloxypyridin-2-amine
CID 106128059
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291950
N,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide
CID 106338931
3-ethoxy-N-(2,2,3-trimethylbutyl)pyridin-2-amine
CID 114100789
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine
CID 106048859

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-adamantyloxy)ethyl]-3-(1-phenylethoxy)pyridin-2-amine?
The IUPAC name of N-[2-(2-adamantyloxy)ethyl]-3-(1-phenylethoxy)pyridin-2-amine (CID 123470032) is N-[2-(2-adamantyloxy)ethyl]-3-(1-phenylethoxy)pyridin-2-amine.
What is the SMILES notation for N-[2-(2-adamantyloxy)ethyl]-3-(1-phenylethoxy)pyridin-2-amine?
The canonical SMILES for N-[2-(2-adamantyloxy)ethyl]-3-(1-phenylethoxy)pyridin-2-amine is CC(Oc1cccnc1NCCOC1C2CC3CC(C2)CC1C3)c1ccccc1.
What is the InChIKey of N-[2-(2-adamantyloxy)ethyl]-3-(1-phenylethoxy)pyridin-2-amine?
The InChIKey is QNYBFIZTLRAAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-17(20-6-3-2-4-7-20)29-23-8-5-9-26-25(23)27-10-11-28-24-21-13-18-12-19(15-21)16-22(24)14-18/h2-9,17-19,21-22,24H,10-16H2,1H3,(H,26,27).
What are the key properties of N-[2-(2-adamantyloxy)ethyl]-3-(1-phenylethoxy)pyridin-2-amine?
N-[2-(2-adamantyloxy)ethyl]-3-(1-phenylethoxy)pyridin-2-amine has a molecular weight of 392.54 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-adamantyloxy)ethyl]-3-(1-phenylethoxy)pyridin-2-amine is sourced from PubChem (CID 123470032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).