N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride

C17H22Br2ClNO — CID 17213045

IUPACN-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride
SMILESCCCCCCNCc1ccc(-c2ccc(Br)cc2Br)o1.Cl
InChIInChI=1S/C17H21Br2NO.ClH/c1-2-3-4-5-10-20-12-14-7-9-17(21-14)15-8-6-13(18)11-16(15)19;/h6-9,11,20H,2-5,10,12H2,1H3;1H
InChIKeySGXJTGKJXSOHFQ-UHFFFAOYSA-N
MW451.63 g/mol
LogP6.56
Rot. Bonds8

About N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride

N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride (PubChem CID 17213045) has the molecular formula C17H22Br2ClNO and a molecular weight of 451.63 g/mol. Its IUPAC name is N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride
PubChem CID17213045
Molecular FormulaC17H22Br2ClNO
Molecular Weight451.63 g/mol
Exact Mass448.98
IUPAC NameN-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride
SMILESCCCCCCNCc1ccc(-c2ccc(Br)cc2Br)o1.Cl
InChIInChI=1S/C17H21Br2NO.ClH/c1-2-3-4-5-10-20-12-14-7-9-17(21-14)15-8-6-13(18)11-16(15)19;/h6-9,11,20H,2-5,10,12H2,1H3;1H
InChIKeySGXJTGKJXSOHFQ-UHFFFAOYSA-N
XLogP6.56
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.63
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214901
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 17056191
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride
CID 17056161
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 17209187
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
CID 17332919
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]hexan-1-amine
CID 17056314
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17213093
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 17213094
N'-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 17056478
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid
CID 66527849

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride?
The IUPAC name of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride (CID 17213045) is N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride.
What is the SMILES notation for N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride?
The canonical SMILES for N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride is CCCCCCNCc1ccc(-c2ccc(Br)cc2Br)o1.Cl.
What is the InChIKey of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride?
The InChIKey is SGXJTGKJXSOHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Br2NO.ClH/c1-2-3-4-5-10-20-12-14-7-9-17(21-14)15-8-6-13(18)11-16(15)19;/h6-9,11,20H,2-5,10,12H2,1H3;1H.
What are the key properties of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride?
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride has a molecular weight of 451.63 g/mol, XLogP of 6.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride is sourced from PubChem (CID 17213045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).