N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine

C20H20BrNO — CID 17056405

IUPACN-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
SMILESCc1cc(Br)ccc1-c1ccc(CNC(C)c2ccccc2)o1
InChIInChI=1S/C20H20BrNO/c1-14-12-17(21)8-10-19(14)20-11-9-18(23-20)13-22-15(2)16-6-4-3-5-7-16/h3-12,15,22H,13H2,1-2H3
InChIKeyZOPWMSKFJWQYOF-UHFFFAOYSA-N
MW370.29 g/mol
LogP5.87
Rot. Bonds5

About N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine

N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine (PubChem CID 17056405) has the molecular formula C20H20BrNO and a molecular weight of 370.29 g/mol. Its IUPAC name is N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
PubChem CID17056405
Molecular FormulaC20H20BrNO
Molecular Weight370.29 g/mol
Exact Mass369.07
IUPAC NameN-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
SMILESCc1cc(Br)ccc1-c1ccc(CNC(C)c2ccccc2)o1
InChIInChI=1S/C20H20BrNO/c1-14-12-17(21)8-10-19(14)20-11-9-18(23-20)13-22-15(2)16-6-4-3-5-7-16/h3-12,15,22H,13H2,1-2H3
InChIKeyZOPWMSKFJWQYOF-UHFFFAOYSA-N
XLogP5.87
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.29
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 29187702
(1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622609
(1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 81372648
(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622797
N'-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 17056478
1-(3-bromophenyl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
CID 43779045
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine
CID 17056480
2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17056402
[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
CID 79032632
1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 43779085
[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 7450436
1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine
CID 17159428

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine?
The IUPAC name of N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine (CID 17056405) is N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine.
What is the SMILES notation for N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine?
The canonical SMILES for N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine is Cc1cc(Br)ccc1-c1ccc(CNC(C)c2ccccc2)o1.
What is the InChIKey of N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine?
The InChIKey is ZOPWMSKFJWQYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrNO/c1-14-12-17(21)8-10-19(14)20-11-9-18(23-20)13-22-15(2)16-6-4-3-5-7-16/h3-12,15,22H,13H2,1-2H3.
What are the key properties of N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine?
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine has a molecular weight of 370.29 g/mol, XLogP of 5.87, 5 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]-1-phenylethanamine is sourced from PubChem (CID 17056405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).