N-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride

C14H15BrClNO — CID 17332235

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride
SMILESC=CCNCc1ccc(-c2ccc(Br)cc2)o1.Cl
InChIInChI=1S/C14H14BrNO.ClH/c1-2-9-16-10-13-7-8-14(17-13)11-3-5-12(15)6-4-11;/h2-8,16H,1,9-10H2;1H
InChIKeyLSVPKHGLAHWGNM-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.41
Rot. Bonds5

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride

N-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride (PubChem CID 17332235) has the molecular formula C14H15BrClNO and a molecular weight of 328.64 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride
PubChem CID17332235
Molecular FormulaC14H15BrClNO
Molecular Weight328.64 g/mol
Exact Mass327.00
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride
SMILESC=CCNCc1ccc(-c2ccc(Br)cc2)o1.Cl
InChIInChI=1S/C14H14BrNO.ClH/c1-2-9-16-10-13-7-8-14(17-13)11-3-5-12(15)6-4-11;/h2-8,16H,1,9-10H2;1H
InChIKeyLSVPKHGLAHWGNM-UHFFFAOYSA-N
XLogP4.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 4723665
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 4723780
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride
CID 17208659
2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
CID 17332249
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine;hydrochloride
CID 17207834
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride
CID 71611175
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine
CID 17207835
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 4723564
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine
CID 4723768
4-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17332241

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride (CID 17332235) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride is C=CCNCc1ccc(-c2ccc(Br)cc2)o1.Cl.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride?
The InChIKey is LSVPKHGLAHWGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO.ClH/c1-2-9-16-10-13-7-8-14(17-13)11-3-5-12(15)6-4-11;/h2-8,16H,1,9-10H2;1H.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride has a molecular weight of 328.64 g/mol, XLogP of 4.41, 5 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]prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 17332235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).