N-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine

C13H14BrNO — CID 81110948

IUPACN-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine
SMILESCc1ccc(Br)c(CNCc2ccco2)c1
InChIInChI=1S/C13H14BrNO/c1-10-4-5-13(14)11(7-10)8-15-9-12-3-2-6-16-12/h2-7,15H,8-9H2,1H3
InChIKeyCOKACGYEBVKXAE-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.64
Rot. Bonds4

About N-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine

N-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine (PubChem CID 81110948) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is N-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine
PubChem CID81110948
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC NameN-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine
SMILESCc1ccc(Br)c(CNCc2ccco2)c1
InChIInChI=1S/C13H14BrNO/c1-10-4-5-13(14)11(7-10)8-15-9-12-3-2-6-16-12/h2-7,15H,8-9H2,1H3
InChIKeyCOKACGYEBVKXAE-UHFFFAOYSA-N
XLogP3.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-chlorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 66160828
1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine
CID 60984036
N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine
CID 54907341
3-bromo-4-[(furan-2-ylmethylamino)methyl]benzoic acid
CID 103235131
N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81327593
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride
CID 17158543
4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine
CID 16614016
1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine
CID 43349415
N-[(2-bromo-5-methylphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405437
2-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-4-methylphenol
CID 63324433
N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine
CID 66534705
2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62584859

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine (CID 81110948) is N-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine is Cc1ccc(Br)c(CNCc2ccco2)c1.
What is the InChIKey of N-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine?
The InChIKey is COKACGYEBVKXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-10-4-5-13(14)11(7-10)8-15-9-12-3-2-6-16-12/h2-7,15H,8-9H2,1H3.
What are the key properties of N-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine?
N-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine has a molecular weight of 280.16 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 81110948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).