N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride

C18H23BrClNO — CID 17056388

IUPACN-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride
SMILESCc1cc(Br)ccc1-c1ccc(CNC2CCCCC2)o1.Cl
InChIInChI=1S/C18H22BrNO.ClH/c1-13-11-14(19)7-9-17(13)18-10-8-16(21-18)12-20-15-5-3-2-4-6-15;/h7-11,15,20H,2-6,12H2,1H3;1H
InChIKeyYGQNOWOIYIABRS-UHFFFAOYSA-N
MW384.75 g/mol
LogP5.86
Rot. Bonds4

About N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride

N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride (PubChem CID 17056388) has the molecular formula C18H23BrClNO and a molecular weight of 384.75 g/mol. Its IUPAC name is N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride
PubChem CID17056388
Molecular FormulaC18H23BrClNO
Molecular Weight384.75 g/mol
Exact Mass383.07
IUPAC NameN-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride
SMILESCc1cc(Br)ccc1-c1ccc(CNC2CCCCC2)o1.Cl
InChIInChI=1S/C18H22BrNO.ClH/c1-13-11-14(19)7-9-17(13)18-10-8-16(21-18)12-20-15-5-3-2-4-6-15;/h7-11,15,20H,2-6,12H2,1H3;1H
InChIKeyYGQNOWOIYIABRS-UHFFFAOYSA-N
XLogP5.86
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.75
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine
CID 17159428
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624821
N-[[5-(5-bromo-2-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624961
N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624931
N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 62909759
N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 107593425
2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17056402
N'-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 17056478
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine
CID 4723489
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine
CID 17056480
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6471769
N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624901

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride?
The IUPAC name of N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride (CID 17056388) is N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride.
What is the SMILES notation for N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride?
The canonical SMILES for N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride is Cc1cc(Br)ccc1-c1ccc(CNC2CCCCC2)o1.Cl.
What is the InChIKey of N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride?
The InChIKey is YGQNOWOIYIABRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO.ClH/c1-13-11-14(19)7-9-17(13)18-10-8-16(21-18)12-20-15-5-3-2-4-6-15;/h7-11,15,20H,2-6,12H2,1H3;1H.
What are the key properties of N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride?
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride has a molecular weight of 384.75 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride is sourced from PubChem (CID 17056388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).