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

C14H15Cl2NO — CID 4723557

IUPACN-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C14H15Cl2NO/c1-2-7-17-9-11-4-6-14(18-11)12-8-10(15)3-5-13(12)16/h3-6,8,17H,2,7,9H2,1H3
InChIKeyBRQQFHJJIXPXNH-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.75
Rot. Bonds5

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

N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 4723557) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine
PubChem CID4723557
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC NameN-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C14H15Cl2NO/c1-2-7-17-9-11-4-6-14(18-11)12-8-10(15)3-5-13(12)16/h3-6,8,17H,2,7,9H2,1H3
InChIKeyBRQQFHJJIXPXNH-UHFFFAOYSA-N
XLogP4.75
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.75
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-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106889016
2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17332050
5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol
CID 17211736
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 4723564
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
CID 17332919
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17332122
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 4725309
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17332038
3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17207840
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylmethanamine
CID 2996307
N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine
CID 43624933
1-(1,3-benzodioxol-5-yl)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 4723563

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine (CID 4723557) is N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is BRQQFHJJIXPXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c1-2-7-17-9-11-4-6-14(18-11)12-8-10(15)3-5-13(12)16/h3-6,8,17H,2,7,9H2,1H3.
What are the key properties of N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine?
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 284.19 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 4723557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).