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

C15H18BrNO — CID 114024207

IUPACN-[(2-bromo-3-methylphenyl)-(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)c1cccc(C)c1Br
InChIInChI=1S/C15H18BrNO/c1-3-8-17-15(12-7-9-18-10-12)13-6-4-5-11(2)14(13)16/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyZNGWKACQGOSLHX-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.44
Rot. Bonds5

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

N-[(2-bromo-3-methylphenyl)-(furan-3-yl)methyl]propan-1-amine (PubChem CID 114024207) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[(2-bromo-3-methylphenyl)-(furan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-3-methylphenyl)-(furan-3-yl)methyl]propan-1-amine
PubChem CID114024207
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-[(2-bromo-3-methylphenyl)-(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)c1cccc(C)c1Br
InChIInChI=1S/C15H18BrNO/c1-3-8-17-15(12-7-9-18-10-12)13-6-4-5-11(2)14(13)16/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyZNGWKACQGOSLHX-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-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine
CID 114030122
N-[(2-bromo-3-methylphenyl)-(3-chloro-4-methylphenyl)methyl]propan-1-amine
CID 107985618
N-[(2-bromo-3-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107985069
N-[furan-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81231183
N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine
CID 107984713
N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 82808232
N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794619
N-[(2-bromo-3-methylphenyl)-(cyclohexen-1-yl)methyl]propan-1-amine
CID 107982008
N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 63947558
N-[1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107985335
N-[(2-bromo-3,4-difluorophenyl)-(furan-3-yl)methyl]ethanamine
CID 107539344
1-(2-bromo-3-methylphenyl)-N-propylhexan-1-amine
CID 114024195

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3-methylphenyl)-(furan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromo-3-methylphenyl)-(furan-3-yl)methyl]propan-1-amine (CID 114024207) is N-[(2-bromo-3-methylphenyl)-(furan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromo-3-methylphenyl)-(furan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromo-3-methylphenyl)-(furan-3-yl)methyl]propan-1-amine is CCCNC(c1ccoc1)c1cccc(C)c1Br.
What is the InChIKey of N-[(2-bromo-3-methylphenyl)-(furan-3-yl)methyl]propan-1-amine?
The InChIKey is ZNGWKACQGOSLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-3-8-17-15(12-7-9-18-10-12)13-6-4-5-11(2)14(13)16/h4-7,9-10,15,17H,3,8H2,1-2H3.
What are the key properties of N-[(2-bromo-3-methylphenyl)-(furan-3-yl)methyl]propan-1-amine?
N-[(2-bromo-3-methylphenyl)-(furan-3-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-[(2-bromo-3-methylphenyl)-(furan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114024207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).