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

C14H16BrNO — CID 12655811

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H16BrNO/c1-10(2)16-9-13-7-8-14(17-13)11-3-5-12(15)6-4-11/h3-8,10,16H,9H2,1-2H3
InChIKeyYTLHGBZQSLMGTO-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.21
Rot. Bonds4

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

N-[[5-(4-bromophenyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 12655811) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]propan-2-amine
PubChem CID12655811
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H16BrNO/c1-10(2)16-9-13-7-8-14(17-13)11-3-5-12(15)6-4-11/h3-8,10,16H,9H2,1-2H3
InChIKeyYTLHGBZQSLMGTO-UHFFFAOYSA-N
XLogP4.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]propan-2-amine (CID 12655811) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is YTLHGBZQSLMGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-10(2)16-9-13-7-8-14(17-13)11-3-5-12(15)6-4-11/h3-8,10,16H,9H2,1-2H3.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 294.19 g/mol, XLogP of 4.21, 4 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]propan-2-amine is sourced from PubChem (CID 12655811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).