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

C14H15Cl2NO — CID 170889125

IUPAC1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine
SMILESCCC(N)Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C14H15Cl2NO/c1-2-10(17)8-11-4-6-14(18-11)9-3-5-12(15)13(16)7-9/h3-7,10H,2,8,17H2,1H3
InChIKeyWUJAACUETXZJSY-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.53
Rot. Bonds4

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

1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine (PubChem CID 170889125) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is 1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine
PubChem CID170889125
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine
SMILESCCC(N)Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C14H15Cl2NO/c1-2-10(17)8-11-4-6-14(18-11)9-3-5-12(15)13(16)7-9/h3-7,10H,2,8,17H2,1H3
InChIKeyWUJAACUETXZJSY-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine
CID 170889123
1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine
CID 170889110
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
(3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide
CID 124514752
3-[5-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine
CID 82542294
[5-(2-aminobutyl)furan-2-yl]methanol
CID 170888411
2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-1-pyridin-4-ylethanamine
CID 21157768
ethyl 2-amino-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]propanoate
CID 170885336
3-[5-(3,4-dichlorophenyl)furan-2-yl]propanehydrazide
CID 91686863
5-(2-aminobutyl)-N,N-dimethylfuran-2-amine
CID 170889541
1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 107615184
1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride
CID 170889105

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine?
The IUPAC name of 1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine (CID 170889125) is 1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine.
What is the SMILES notation for 1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine?
The canonical SMILES for 1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine is CCC(N)Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine?
The InChIKey is WUJAACUETXZJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c1-2-10(17)8-11-4-6-14(18-11)9-3-5-12(15)13(16)7-9/h3-7,10H,2,8,17H2,1H3.
What are the key properties of 1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine?
1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine has a molecular weight of 284.19 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine is sourced from PubChem (CID 170889125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).