3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine

C14H15Cl2NO — CID 82542304

IUPAC3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine
SMILESCC(CCN)c1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C14H15Cl2NO/c1-9(4-5-17)13-2-3-14(18-13)10-6-11(15)8-12(16)7-10/h2-3,6-9H,4-5,17H2,1H3
InChIKeyGUAQEKJDYCQGAL-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.71
Rot. Bonds4

About 3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine

3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine (PubChem CID 82542304) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is 3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine
PubChem CID82542304
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine
SMILESCC(CCN)c1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C14H15Cl2NO/c1-9(4-5-17)13-2-3-14(18-13)10-6-11(15)8-12(16)7-10/h2-3,6-9H,4-5,17H2,1H3
InChIKeyGUAQEKJDYCQGAL-UHFFFAOYSA-N
XLogP4.71
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(3-chlorophenyl)furan-2-yl]butan-1-amine
CID 82542677
3-[5-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine
CID 82542294
3-[5-(3-chloro-2-methylphenyl)furan-2-yl]butan-1-amine
CID 82542459
3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]butan-1-amine
CID 82542289
3-[5-(2-methoxyphenyl)furan-2-yl]butan-1-amine
CID 82542723
1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol
CID 4723653
2-butan-2-yl-5-(4-chloro-3,5-dimethoxyphenyl)furan
CID 137448223
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
[5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium
CID 7425173
1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine
CID 62499233
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17332122
(1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622609

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine?
The IUPAC name of 3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine (CID 82542304) is 3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine.
What is the SMILES notation for 3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine?
The canonical SMILES for 3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine is CC(CCN)c1ccc(-c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of 3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine?
The InChIKey is GUAQEKJDYCQGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c1-9(4-5-17)13-2-3-14(18-13)10-6-11(15)8-12(16)7-10/h2-3,6-9H,4-5,17H2,1H3.
What are the key properties of 3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine?
3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine has a molecular weight of 284.19 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine is sourced from PubChem (CID 82542304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).