1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine

C24H27BrN2O — CID 17159428

IUPAC1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine
SMILESCc1cc(Br)ccc1-c1ccc(CNC2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C24H27BrN2O/c1-18-15-20(25)7-9-23(18)24-10-8-22(28-24)16-26-21-11-13-27(14-12-21)17-19-5-3-2-4-6-19/h2-10,15,21,26H,11-14,16-17H2,1H3
InChIKeyCNAVPRLUXWNOSW-UHFFFAOYSA-N
MW439.40 g/mol
LogP5.77
Rot. Bonds6

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

1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine (PubChem CID 17159428) has the molecular formula C24H27BrN2O and a molecular weight of 439.40 g/mol. Its IUPAC name is 1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine
PubChem CID17159428
Molecular FormulaC24H27BrN2O
Molecular Weight439.40 g/mol
Exact Mass438.13
IUPAC Name1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine
SMILESCc1cc(Br)ccc1-c1ccc(CNC2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C24H27BrN2O/c1-18-15-20(25)7-9-23(18)24-10-8-22(28-24)16-26-21-11-13-27(14-12-21)17-19-5-3-2-4-6-19/h2-10,15,21,26H,11-14,16-17H2,1H3
InChIKeyCNAVPRLUXWNOSW-UHFFFAOYSA-N
XLogP5.77
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.40
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine
CID 17159324
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride
CID 17056388
1-benzyl-N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]piperidin-4-amine;dihydrochloride
CID 17159468
1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine
CID 17159461
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624821
N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 62909759
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 17056405
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
1-benzyl-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 17159394
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-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 107593425

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine (CID 17159428) is 1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine is Cc1cc(Br)ccc1-c1ccc(CNC2CCN(Cc3ccccc3)CC2)o1.
What is the InChIKey of 1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine?
The InChIKey is CNAVPRLUXWNOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN2O/c1-18-15-20(25)7-9-23(18)24-10-8-22(28-24)16-26-21-11-13-27(14-12-21)17-19-5-3-2-4-6-19/h2-10,15,21,26H,11-14,16-17H2,1H3.
What are the key properties of 1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine?
1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine has a molecular weight of 439.40 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 17159428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).