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

C19H26Cl3NO — CID 17332919

IUPACN-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
SMILESCCCCCCCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1.Cl
InChIInChI=1S/C19H25Cl2NO.ClH/c1-2-3-4-5-6-7-12-22-14-16-9-11-19(23-16)17-10-8-15(20)13-18(17)21;/h8-11,13,22H,2-7,12,14H2,1H3;1H
InChIKeyAWVWXGUGJPUMIW-UHFFFAOYSA-N
MW390.78 g/mol
LogP7.13
Rot. Bonds10

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

N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride (PubChem CID 17332919) has the molecular formula C19H26Cl3NO and a molecular weight of 390.78 g/mol. Its IUPAC name is N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
PubChem CID17332919
Molecular FormulaC19H26Cl3NO
Molecular Weight390.78 g/mol
Exact Mass389.11
IUPAC NameN-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
SMILESCCCCCCCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1.Cl
InChIInChI=1S/C19H25Cl2NO.ClH/c1-2-3-4-5-6-7-12-22-14-16-9-11-19(23-16)17-10-8-15(20)13-18(17)21;/h8-11,13,22H,2-7,12,14H2,1H3;1H
InChIKeyAWVWXGUGJPUMIW-UHFFFAOYSA-N
XLogP7.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.78
LogP ≤ 57.13
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

3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17207840
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-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 4724568
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]heptan-1-amine;hydrochloride
CID 17057126
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 4723557
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride
CID 17213045
1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 17332799
1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 71611033
5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol
CID 17211736
3-butoxy-N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207913
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-3-ethylhex-5-en-1-amine
CID 134232523

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride?
The IUPAC name of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride (CID 17332919) is N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride.
What is the SMILES notation for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride?
The canonical SMILES for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride is CCCCCCCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1.Cl.
What is the InChIKey of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride?
The InChIKey is AWVWXGUGJPUMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2NO.ClH/c1-2-3-4-5-6-7-12-22-14-16-9-11-19(23-16)17-10-8-15(20)13-18(17)21;/h8-11,13,22H,2-7,12,14H2,1H3;1H.
What are the key properties of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride?
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride has a molecular weight of 390.78 g/mol, XLogP of 7.13, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride is sourced from PubChem (CID 17332919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).