N-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine

C18H24N2O — CID 115925425

IUPACN-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine
SMILESCc1cccc(OCC(C)(C)CNCc2ccccc2)n1
InChIInChI=1S/C18H24N2O/c1-15-8-7-11-17(20-15)21-14-18(2,3)13-19-12-16-9-5-4-6-10-16/h4-11,19H,12-14H2,1-3H3
InChIKeyKPXGUHVYLLMNFT-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.58
Rot. Bonds7

About N-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine

N-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine (PubChem CID 115925425) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine
PubChem CID115925425
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine
SMILESCc1cccc(OCC(C)(C)CNCc2ccccc2)n1
InChIInChI=1S/C18H24N2O/c1-15-8-7-11-17(20-15)21-14-18(2,3)13-19-12-16-9-5-4-6-10-16/h4-11,19H,12-14H2,1-3H3
InChIKeyKPXGUHVYLLMNFT-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine?
The IUPAC name of N-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine (CID 115925425) is N-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine.
What is the SMILES notation for N-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine?
The canonical SMILES for N-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine is Cc1cccc(OCC(C)(C)CNCc2ccccc2)n1.
What is the InChIKey of N-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine?
The InChIKey is KPXGUHVYLLMNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-15-8-7-11-17(20-15)21-14-18(2,3)13-19-12-16-9-5-4-6-10-16/h4-11,19H,12-14H2,1-3H3.
What are the key properties of N-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine?
N-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine is sourced from PubChem (CID 115925425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).