1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine

C15H18BrNO — CID 115652236

IUPAC1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine
SMILESCc1ccoc1CNC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H18BrNO/c1-11-7-8-18-15(11)10-17-12(2)9-13-3-5-14(16)6-4-13/h3-8,12,17H,9-10H2,1-2H3
InChIKeyGIKDHBSYVVWPGY-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.07
Rot. Bonds5

About 1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine

1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine (PubChem CID 115652236) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine
PubChem CID115652236
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine
SMILESCc1ccoc1CNC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H18BrNO/c1-11-7-8-18-15(11)10-17-12(2)9-13-3-5-14(16)6-4-13/h3-8,12,17H,9-10H2,1-2H3
InChIKeyGIKDHBSYVVWPGY-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine (CID 115652236) is 1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine is Cc1ccoc1CNC(C)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine?
The InChIKey is GIKDHBSYVVWPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-11-7-8-18-15(11)10-17-12(2)9-13-3-5-14(16)6-4-13/h3-8,12,17H,9-10H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine?
1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine has a molecular weight of 308.22 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 115652236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).