N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine

C15H18BrNO — CID 4723752

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
SMILESCCCCNCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H18BrNO/c1-2-3-10-17-11-14-8-9-15(18-14)12-4-6-13(16)7-5-12/h4-9,17H,2-3,10-11H2,1H3
InChIKeyKZGHPYSTVVZNEM-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.60
Rot. Bonds6

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine

N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine (PubChem CID 4723752) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
PubChem CID4723752
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
SMILESCCCCNCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H18BrNO/c1-2-3-10-17-11-14-8-9-15(18-14)12-4-6-13(16)7-5-12/h4-9,17H,2-3,10-11H2,1H3
InChIKeyKZGHPYSTVVZNEM-UHFFFAOYSA-N
XLogP4.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine
CID 17207835
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine;hydrochloride
CID 17207834
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine
CID 4723512
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]hexan-1-amine
CID 17056314
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride
CID 17056161
N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 4725254
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride
CID 17213045
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17156371
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride
CID 17208659
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 17056191
methyl 4-[5-[(hexylamino)methyl]furan-2-yl]benzoate
CID 4724301

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine (CID 4723752) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine is CCCCNCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine?
The InChIKey is KZGHPYSTVVZNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-2-3-10-17-11-14-8-9-15(18-14)12-4-6-13(16)7-5-12/h4-9,17H,2-3,10-11H2,1H3.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 4723752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).