N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride

C14H16Cl3NO — CID 17332122

IUPACN-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
SMILESCCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1.Cl
InChIInChI=1S/C14H15Cl2NO.ClH/c1-2-5-17-9-13-3-4-14(18-13)10-6-11(15)8-12(16)7-10;/h3-4,6-8,17H,2,5,9H2,1H3;1H
InChIKeyQSLZYQXRQONWET-UHFFFAOYSA-N
MW320.65 g/mol
LogP5.17
Rot. Bonds5

About N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride

N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride (PubChem CID 17332122) has the molecular formula C14H16Cl3NO and a molecular weight of 320.65 g/mol. Its IUPAC name is N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
PubChem CID17332122
Molecular FormulaC14H16Cl3NO
Molecular Weight320.65 g/mol
Exact Mass319.03
IUPAC NameN-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
SMILESCCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1.Cl
InChIInChI=1S/C14H15Cl2NO.ClH/c1-2-5-17-9-13-3-4-14(18-13)10-6-11(15)8-12(16)7-10;/h3-4,6-8,17H,2,5,9H2,1H3;1H
InChIKeyQSLZYQXRQONWET-UHFFFAOYSA-N
XLogP5.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.65
LogP ≤ 55.17
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',N'-dibutyl-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214757
1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol
CID 4723653
N-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine
CID 55119419
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17332138
N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 4725254
1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 4723648
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 4723557
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 4723665
N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 43624804
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332139
(2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 8622629
(2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 8622634

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride?
The IUPAC name of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride (CID 17332122) is N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride?
The canonical SMILES for N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride is CCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1.Cl.
What is the InChIKey of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride?
The InChIKey is QSLZYQXRQONWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO.ClH/c1-2-5-17-9-13-3-4-14(18-13)10-6-11(15)8-12(16)7-10;/h3-4,6-8,17H,2,5,9H2,1H3;1H.
What are the key properties of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride?
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride has a molecular weight of 320.65 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 17332122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).