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

C17H21BrClNO — CID 17056191

IUPACN-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine
SMILESCCCCCCNCc1ccc(-c2ccc(Br)cc2Cl)o1
InChIInChI=1S/C17H21BrClNO/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
InChIKeyFFFQHIHJDJGOFB-UHFFFAOYSA-N
MW370.72 g/mol
LogP6.03
Rot. Bonds8

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

N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine (PubChem CID 17056191) has the molecular formula C17H21BrClNO and a molecular weight of 370.72 g/mol. Its IUPAC name is N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine
PubChem CID17056191
Molecular FormulaC17H21BrClNO
Molecular Weight370.72 g/mol
Exact Mass369.05
IUPAC NameN-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine
SMILESCCCCCCNCc1ccc(-c2ccc(Br)cc2Cl)o1
InChIInChI=1S/C17H21BrClNO/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
InChIKeyFFFQHIHJDJGOFB-UHFFFAOYSA-N
XLogP6.03
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.72
LogP ≤ 56.03
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

N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride
CID 17056161
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
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764
N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214901
3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17207840
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]heptan-1-amine;hydrochloride
CID 17057126
3-butoxy-N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207913
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 4724568
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

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine?
The IUPAC name of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine (CID 17056191) is N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine.
What is the SMILES notation for N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine?
The canonical SMILES for N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine is CCCCCCNCc1ccc(-c2ccc(Br)cc2Cl)o1.
What is the InChIKey of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine?
The InChIKey is FFFQHIHJDJGOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrClNO/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.
What are the key properties of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine?
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine has a molecular weight of 370.72 g/mol, XLogP of 6.03, 8 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]hexan-1-amine is sourced from PubChem (CID 17056191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).