N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine

C15H18BrN3O — CID 106908394

IUPACN-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(COc2cncc(Br)c2)n1
InChIInChI=1S/C15H18BrN3O/c1-11(2)18-8-13-4-3-5-14(19-13)10-20-15-6-12(16)7-17-9-15/h3-7,9,11,18H,8,10H2,1-2H3
InChIKeyPSIFIAVQCQSLTN-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.32
Rot. Bonds6

About N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine

N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 106908394) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine
PubChem CID106908394
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(COc2cncc(Br)c2)n1
InChIInChI=1S/C15H18BrN3O/c1-11(2)18-8-13-4-3-5-14(19-13)10-20-15-6-12(16)7-17-9-15/h3-7,9,11,18H,8,10H2,1-2H3
InChIKeyPSIFIAVQCQSLTN-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908393
2-[(5-bromo-3-pyridinyl)oxymethyl]-6-methylpyridine
CID 79267890
6-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine
CID 79239382
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66450240
N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907945
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907961
N-[[6-[(2,3-difluorophenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106908318
2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106907868
N-[[5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62460442
N-[[6-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907860
3-bromo-5-phenylmethoxypyridine
CID 15389198

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine (CID 106908394) is N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cccc(COc2cncc(Br)c2)n1.
What is the InChIKey of N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is PSIFIAVQCQSLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-11(2)18-8-13-4-3-5-14(19-13)10-20-15-6-12(16)7-17-9-15/h3-7,9,11,18H,8,10H2,1-2H3.
What are the key properties of N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine?
N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 336.23 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106908394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).