N-[(2,5-dibromophenyl)methyl]-1-(oxolan-2-yl)methanamine

C12H15Br2NO — CID 114369310

IUPACN-[(2,5-dibromophenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESBrc1ccc(Br)c(CNCC2CCCO2)c1
InChIInChI=1S/C12H15Br2NO/c13-10-3-4-12(14)9(6-10)7-15-8-11-2-1-5-16-11/h3-4,6,11,15H,1-2,5,7-8H2
InChIKeyRZBUKZTWKHFBPG-UHFFFAOYSA-N
MW349.07 g/mol
LogP3.48
Rot. Bonds4

About N-[(2,5-dibromophenyl)methyl]-1-(oxolan-2-yl)methanamine

N-[(2,5-dibromophenyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 114369310) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is N-[(2,5-dibromophenyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,5-dibromophenyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID114369310
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC NameN-[(2,5-dibromophenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESBrc1ccc(Br)c(CNCC2CCCO2)c1
InChIInChI=1S/C12H15Br2NO/c13-10-3-4-12(14)9(6-10)7-15-8-11-2-1-5-16-11/h3-4,6,11,15H,1-2,5,7-8H2
InChIKeyRZBUKZTWKHFBPG-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-propoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29224673
N-[(2-bromo-4-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 81495268
N-[(2-bromo-4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43199306
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 27137804
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 979558
2,4-dibromo-N-(oxolan-2-ylmethyl)aniline
CID 60680681
2-bromo-4-[(oxolan-2-ylmethylamino)methyl]phenol
CID 60657621
methyl 3-bromo-4-[(oxolan-2-ylmethylamino)methyl]benzoate
CID 102766465
N-[(4-bromo-2-chlorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115652022
N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 62515858
4-[(oxolan-2-ylmethylamino)methyl]benzene-1,3-diamine;hydrochloride
CID 22328123
2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide
CID 68614900

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(2,5-dibromophenyl)methyl]-1-(oxolan-2-yl)methanamine (CID 114369310) is N-[(2,5-dibromophenyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(2,5-dibromophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(2,5-dibromophenyl)methyl]-1-(oxolan-2-yl)methanamine is Brc1ccc(Br)c(CNCC2CCCO2)c1.
What is the InChIKey of N-[(2,5-dibromophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is RZBUKZTWKHFBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c13-10-3-4-12(14)9(6-10)7-15-8-11-2-1-5-16-11/h3-4,6,11,15H,1-2,5,7-8H2.
What are the key properties of N-[(2,5-dibromophenyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(2,5-dibromophenyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 349.07 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dibromophenyl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 114369310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).