N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride

C15H18BrCl2NO — CID 17056161

IUPACN-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride
SMILESCCCCNCc1ccc(-c2ccc(Br)cc2Cl)o1.Cl
InChIInChI=1S/C15H17BrClNO.ClH/c1-2-3-8-18-10-12-5-7-15(19-12)13-6-4-11(16)9-14(13)17;/h4-7,9,18H,2-3,8,10H2,1H3;1H
InChIKeyKEVGVTBAYVDBMG-UHFFFAOYSA-N
MW379.13 g/mol
LogP5.67
Rot. Bonds6

About N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride

N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride (PubChem CID 17056161) has the molecular formula C15H18BrCl2NO and a molecular weight of 379.13 g/mol. Its IUPAC name is N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride
PubChem CID17056161
Molecular FormulaC15H18BrCl2NO
Molecular Weight379.13 g/mol
Exact Mass376.99
IUPAC NameN-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride
SMILESCCCCNCc1ccc(-c2ccc(Br)cc2Cl)o1.Cl
InChIInChI=1S/C15H17BrClNO.ClH/c1-2-3-8-18-10-12-5-7-15(19-12)13-6-4-11(16)9-14(13)17;/h4-7,9,18H,2-3,8,10H2,1H3;1H
InChIKeyKEVGVTBAYVDBMG-UHFFFAOYSA-N
XLogP5.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.13
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-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-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 17056191
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
CID 17332919
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride
CID 17213045
1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17056230
3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17207840
N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214901
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
3-butoxy-N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207913
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]pentan-1-amine
CID 4723764
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208292
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine
CID 17057733

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride?
The IUPAC name of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride (CID 17056161) is N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride.
What is the SMILES notation for N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride?
The canonical SMILES for N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride is CCCCNCc1ccc(-c2ccc(Br)cc2Cl)o1.Cl.
What is the InChIKey of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride?
The InChIKey is KEVGVTBAYVDBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNO.ClH/c1-2-3-8-18-10-12-5-7-15(19-12)13-6-4-11(16)9-14(13)17;/h4-7,9,18H,2-3,8,10H2,1H3;1H.
What are the key properties of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride?
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride has a molecular weight of 379.13 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride is sourced from PubChem (CID 17056161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).