N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine

C15H16BrNO — CID 43624931

IUPACN-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(-c2ccc(CNC3CC3)o2)c(Br)c1
InChIInChI=1S/C15H16BrNO/c1-10-2-6-13(14(16)8-10)15-7-5-12(18-15)9-17-11-3-4-11/h2,5-8,11,17H,3-4,9H2,1H3
InChIKeyGAMSYMZUYNZJQY-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.27
Rot. Bonds4

About N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine

N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 43624931) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID43624931
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC NameN-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(-c2ccc(CNC3CC3)o2)c(Br)c1
InChIInChI=1S/C15H16BrNO/c1-10-2-6-13(14(16)8-10)15-7-5-12(18-15)9-17-11-3-4-11/h2,5-8,11,17H,3-4,9H2,1H3
InChIKeyGAMSYMZUYNZJQY-UHFFFAOYSA-N
XLogP4.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624901
N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 107593425
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624821
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride
CID 17056388
N-[[5-(5-bromo-2-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624961
N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 62909759
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 17213094
N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624861
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17213093
N-[[2-(2-bromo-4-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107915419
1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine
CID 17159428
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62453576

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine (CID 43624931) is N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine is Cc1ccc(-c2ccc(CNC3CC3)o2)c(Br)c1.
What is the InChIKey of N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is GAMSYMZUYNZJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10-2-6-13(14(16)8-10)15-7-5-12(18-15)9-17-11-3-4-11/h2,5-8,11,17H,3-4,9H2,1H3.
What are the key properties of N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 306.20 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 43624931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).