N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine

C15H18BrNO — CID 104851281

IUPACN-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(Br)c1)c1ccco1
InChIInChI=1S/C15H18BrNO/c1-3-6-17-15(14-5-4-7-18-14)12-8-11(2)9-13(16)10-12/h4-5,7-10,15,17H,3,6H2,1-2H3
InChIKeyGTTUDABDXKVRNY-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.44
Rot. Bonds5

About N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine

N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine (PubChem CID 104851281) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine
PubChem CID104851281
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(Br)c1)c1ccco1
InChIInChI=1S/C15H18BrNO/c1-3-6-17-15(14-5-4-7-18-14)12-8-11(2)9-13(16)10-12/h4-5,7-10,15,17H,3,6H2,1-2H3
InChIKeyGTTUDABDXKVRNY-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-5-methylphenyl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 104851374
N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 81290836
N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496085
N-[(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 104851227
N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496452
N-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 107979814
1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine
CID 114979558
N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine
CID 43497829
N-[(3-bromo-5-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine
CID 102827845
N-[(5-bromo-2-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43493888
N-[(2,6-dimethyl-4-pyridinyl)-(furan-2-yl)methyl]ethanamine
CID 107503948
N-[(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649482

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine (CID 104851281) is N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(Br)c1)c1ccco1.
What is the InChIKey of N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine?
The InChIKey is GTTUDABDXKVRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-3-6-17-15(14-5-4-7-18-14)12-8-11(2)9-13(16)10-12/h4-5,7-10,15,17H,3,6H2,1-2H3.
What are the key properties of N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine?
N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 104851281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).