N-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine

C17H23N3O — CID 89132307

IUPACN-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine
SMILESCC(C)NOC(CN(C)c1ccccn1)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-14(2)19-21-16(15-9-5-4-6-10-15)13-20(3)17-11-7-8-12-18-17/h4-12,14,16,19H,13H2,1-3H3
InChIKeyXTCQTIXGYLWLJP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.19
Rot. Bonds7

About N-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine

N-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine (PubChem CID 89132307) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine
PubChem CID89132307
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine
SMILESCC(C)NOC(CN(C)c1ccccn1)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-14(2)19-21-16(15-9-5-4-6-10-15)13-20(3)17-11-7-8-12-18-17/h4-12,14,16,19H,13H2,1-3H3
InChIKeyXTCQTIXGYLWLJP-UHFFFAOYSA-N
XLogP3.19
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine?
The IUPAC name of N-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine (CID 89132307) is N-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine?
The canonical SMILES for N-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine is CC(C)NOC(CN(C)c1ccccn1)c1ccccc1.
What is the InChIKey of N-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine?
The InChIKey is XTCQTIXGYLWLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14(2)19-21-16(15-9-5-4-6-10-15)13-20(3)17-11-7-8-12-18-17/h4-12,14,16,19H,13H2,1-3H3.
What are the key properties of N-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine?
N-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine is sourced from PubChem (CID 89132307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).