N-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine

C18H24N2O — CID 115925354

IUPACN-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine
SMILESCC(C)(CNCc1ccccc1)COCc1ccccn1
InChIInChI=1S/C18H24N2O/c1-18(2,14-19-12-16-8-4-3-5-9-16)15-21-13-17-10-6-7-11-20-17/h3-11,19H,12-15H2,1-2H3
InChIKeyFDWHUWLMJNQJPA-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.41
Rot. Bonds8

About N-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine

N-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine (PubChem CID 115925354) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine
PubChem CID115925354
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine
SMILESCC(C)(CNCc1ccccc1)COCc1ccccn1
InChIInChI=1S/C18H24N2O/c1-18(2,14-19-12-16-8-4-3-5-9-16)15-21-13-17-10-6-7-11-20-17/h3-11,19H,12-15H2,1-2H3
InChIKeyFDWHUWLMJNQJPA-UHFFFAOYSA-N
XLogP3.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine
CID 112568802
N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 103034495
3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol
CID 106938875
N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine
CID 112568841
N-benzyl-3-(4-methoxybutoxy)-2,2-dimethylpropan-1-amine
CID 104648302
N-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine
CID 115925425
N-benzyl-2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine
CID 115925386
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol
CID 119128600
2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide
CID 106938877
2-phenyl-1-(pyridin-2-ylmethylamino)propan-2-ol
CID 62373506
1-[4-(methoxymethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 60751892

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine?
The IUPAC name of N-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine (CID 115925354) is N-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine?
The canonical SMILES for N-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine is CC(C)(CNCc1ccccc1)COCc1ccccn1.
What is the InChIKey of N-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine?
The InChIKey is FDWHUWLMJNQJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18(2,14-19-12-16-8-4-3-5-9-16)15-21-13-17-10-6-7-11-20-17/h3-11,19H,12-15H2,1-2H3.
What are the key properties of N-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine?
N-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.41, 8 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-(pyridin-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 115925354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).