3-[5-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine

C14H15Cl2NO — CID 82542294

IUPAC3-[5-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine
SMILESCC(CCN)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C14H15Cl2NO/c1-9(6-7-17)13-4-5-14(18-13)10-2-3-11(15)12(16)8-10/h2-5,8-9H,6-7,17H2,1H3
InChIKeyIVJSGBQZHQYMCC-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.71
Rot. Bonds4

About 3-[5-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine

3-[5-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine (PubChem CID 82542294) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is 3-[5-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-[5-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine
PubChem CID82542294
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name3-[5-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine
SMILESCC(CCN)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C14H15Cl2NO/c1-9(6-7-17)13-4-5-14(18-13)10-2-3-11(15)12(16)8-10/h2-5,8-9H,6-7,17H2,1H3
InChIKeyIVJSGBQZHQYMCC-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-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine
CID 82542304
3-[5-(3-chlorophenyl)furan-2-yl]butan-1-amine
CID 82542677
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
(3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide
CID 124514752
1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine
CID 170889125
(1S)-1-(3,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171220884
3-(4-chloro-3-methylphenyl)butan-1-amine
CID 82398517
3-[5-(2-methoxyphenyl)furan-2-yl]butan-1-amine
CID 82542723
3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride
CID 140626356
(E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine
CID 70655963
(4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one
CID 155260604

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine?
The IUPAC name of 3-[5-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine (CID 82542294) is 3-[5-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine.
What is the SMILES notation for 3-[5-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine?
The canonical SMILES for 3-[5-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine is CC(CCN)c1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 3-[5-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine?
The InChIKey is IVJSGBQZHQYMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c1-9(6-7-17)13-4-5-14(18-13)10-2-3-11(15)12(16)8-10/h2-5,8-9H,6-7,17H2,1H3.
What are the key properties of 3-[5-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine?
3-[5-(3,4-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-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine is sourced from PubChem (CID 82542294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).