N-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine

C15H23BrN2O — CID 104810695

IUPACN-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2ccc(Br)cn2)CCOC1
InChIInChI=1S/C15H23BrN2O/c1-14(2,3)18-10-15(6-7-19-11-15)8-13-5-4-12(16)9-17-13/h4-5,9,18H,6-8,10-11H2,1-3H3
InChIKeyTWKXJOFXUDACDD-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.18
Rot. Bonds4

About N-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 104810695) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID104810695
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2ccc(Br)cn2)CCOC1
InChIInChI=1S/C15H23BrN2O/c1-14(2,3)18-10-15(6-7-19-11-15)8-13-5-4-12(16)9-17-13/h4-5,9,18H,6-8,10-11H2,1-3H3
InChIKeyTWKXJOFXUDACDD-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-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

4-Bromo-2-(oxan-4-yl)pyridine
CID 66520247
4-(5-Bromopyridin-2-yl)oxan-4-amine
CID 66828199
2-{4-[(Cyclopropylmethoxy)methyl]pyrrolidin-3-YL}pyridine
CID 110203401
2-[4-(Methoxymethyl)pyrrolidin-3-YL]pyridine
CID 124051514
N-[(5-bromo-6-fluoro-3-pyridinyl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 68313970
N-[(5-bromo-6-fluoro-3-pyridinyl)methyl]-2-[(9S)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 68313971
N-[[5-bromo-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 68314437
N-[[5-bromo-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(9S)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 68314439
N-[(5-bromo-6-fluoro-3-pyridinyl)methyl]-2-[(5R)-5-pyridin-2-yloxecan-5-yl]ethanamine
CID 144447034
N-[[5-bromo-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 77476331
N-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 79712706
N-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]ethanamine
CID 79712853

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 104810695) is N-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(Cc2ccc(Br)cn2)CCOC1.
What is the InChIKey of N-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is TWKXJOFXUDACDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-14(2,3)18-10-15(6-7-19-11-15)8-13-5-4-12(16)9-17-13/h4-5,9,18H,6-8,10-11H2,1-3H3.
What are the key properties of N-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 327.27 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104810695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).