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

C14H16BrNO — CID 106887819

IUPACN-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1cccc(Br)c1
InChIInChI=1S/C14H16BrNO/c1-2-7-16-10-14-13(6-8-17-14)11-4-3-5-12(15)9-11/h3-6,8-9,16H,2,7,10H2,1H3
InChIKeyXRDSRXUQGBNAKH-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.21
Rot. Bonds5

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

N-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 106887819) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is N-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine
PubChem CID106887819
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC NameN-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1cccc(Br)c1
InChIInChI=1S/C14H16BrNO/c1-2-7-16-10-14-13(6-8-17-14)11-4-3-5-12(15)9-11/h3-6,8-9,16H,2,7,10H2,1H3
InChIKeyXRDSRXUQGBNAKH-UHFFFAOYSA-N
XLogP4.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine
CID 106887821
N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887777
N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106888999
N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine
CID 106887380
1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 70624980
N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887023
N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887808
N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine
CID 106887175
N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine
CID 106887400
N-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine
CID 106888721
N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine
CID 106886915
N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine
CID 106887842

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine (CID 106887819) is N-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1-c1cccc(Br)c1.
What is the InChIKey of N-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is XRDSRXUQGBNAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-2-7-16-10-14-13(6-8-17-14)11-4-3-5-12(15)9-11/h3-6,8-9,16H,2,7,10H2,1H3.
What are the key properties of N-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 294.19 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106887819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).