(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride

C13H15BrClNO — CID 135262901

IUPAC(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride
SMILESCc1ccc(C(N)c2ccc(C)o2)c(Br)c1.Cl
InChIInChI=1S/C13H14BrNO.ClH/c1-8-3-5-10(11(14)7-8)13(15)12-6-4-9(2)16-12;/h3-7,13H,15H2,1-2H3;1H
InChIKeySPAZLWNZSRVFHV-UHFFFAOYSA-N
MW316.63 g/mol
LogP4.13
Rot. Bonds2

About (2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride

(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride (PubChem CID 135262901) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride
PubChem CID135262901
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC Name(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride
SMILESCc1ccc(C(N)c2ccc(C)o2)c(Br)c1.Cl
InChIInChI=1S/C13H14BrNO.ClH/c1-8-3-5-10(11(14)7-8)13(15)12-6-4-9(2)16-12;/h3-7,13H,15H2,1-2H3;1H
InChIKeySPAZLWNZSRVFHV-UHFFFAOYSA-N
XLogP4.13
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine
CID 107987483
bis(2-bromo-4-methylphenyl)methanamine
CID 139840771
2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride
CID 135263451
(S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 135263337
(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045351
(2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine
CID 43464484
(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine
CID 135262978
(4-bromothiophen-3-yl)-(5-methylfuran-2-yl)methanamine
CID 105010579
(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171240370
(1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride
CID 171221659
(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine
CID 130626598
(1S)-1-(2-bromo-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221661

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride?
The IUPAC name of (2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride (CID 135262901) is (2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride?
The canonical SMILES for (2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride is Cc1ccc(C(N)c2ccc(C)o2)c(Br)c1.Cl.
What is the InChIKey of (2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride?
The InChIKey is SPAZLWNZSRVFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO.ClH/c1-8-3-5-10(11(14)7-8)13(15)12-6-4-9(2)16-12;/h3-7,13H,15H2,1-2H3;1H.
What are the key properties of (2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride?
(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride has a molecular weight of 316.63 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 135262901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).