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

C15H18BrNO — CID 4723768

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H18BrNO/c1-3-11(2)17-10-14-8-9-15(18-14)12-4-6-13(16)7-5-12/h4-9,11,17H,3,10H2,1-2H3
InChIKeyUVRGTTOJDQEVEP-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.60
Rot. Bonds5

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

N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine (PubChem CID 4723768) 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-2-amine.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine
PubChem CID4723768
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H18BrNO/c1-3-11(2)17-10-14-8-9-15(18-14)12-4-6-13(16)7-5-12/h4-9,11,17H,3,10H2,1-2H3
InChIKeyUVRGTTOJDQEVEP-UHFFFAOYSA-N
XLogP4.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]butan-2-amine;hydrochloride
CID 17056319
(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol
CID 8639149
(2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine
CID 8637675
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-[(2S)-butan-2-yl]acetamide
CID 8596574
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine
CID 43080703
N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 65435627
2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-4-methylsulfanylbutanoic acid
CID 66528016
(2S)-2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-4-methylsulfanylbutanoic acid
CID 99124815
3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol
CID 111436938
N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888608

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine (CID 4723768) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine is CCC(C)NCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine?
The InChIKey is UVRGTTOJDQEVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-3-11(2)17-10-14-8-9-15(18-14)12-4-6-13(16)7-5-12/h4-9,11,17H,3,10H2,1-2H3.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine has a molecular weight of 308.22 g/mol, XLogP of 4.60, 5 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-2-amine is sourced from PubChem (CID 4723768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).