N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine

C14H13Cl2NO — CID 4723665

IUPACN-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine
SMILESC=CCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C14H13Cl2NO/c1-2-5-17-9-13-3-4-14(18-13)10-6-11(15)8-12(16)7-10/h2-4,6-8,17H,1,5,9H2
InChIKeyGKTHMXJTZONCPQ-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.53
Rot. Bonds5

About N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine

N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine (PubChem CID 4723665) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine
PubChem CID4723665
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC NameN-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine
SMILESC=CCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C14H13Cl2NO/c1-2-5-17-9-13-3-4-14(18-13)10-6-11(15)8-12(16)7-10/h2-4,6-8,17H,1,5,9H2
InChIKeyGKTHMXJTZONCPQ-UHFFFAOYSA-N
XLogP4.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 4723564
1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol
CID 4723653
N-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride
CID 17332235
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17332122
1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 4723648
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332139
N',N'-dibutyl-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214757
4-chloro-3-[5-[(prop-2-enylamino)methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17212943
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4723692
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17332138
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526053
[5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium
CID 7425173

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine (CID 4723665) is N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine is C=CCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine?
The InChIKey is GKTHMXJTZONCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-2-5-17-9-13-3-4-14(18-13)10-6-11(15)8-12(16)7-10/h2-4,6-8,17H,1,5,9H2.
What are the key properties of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine?
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine has a molecular weight of 282.17 g/mol, XLogP of 4.53, 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]prop-2-en-1-amine is sourced from PubChem (CID 4723665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).