1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine

C16H19BrClNO — CID 107615184

IUPAC1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(-c2ccc(Br)c(Cl)c2)o1
InChIInChI=1S/C16H19BrClNO/c1-3-8-19-11(2)9-13-5-7-16(20-13)12-4-6-14(17)15(18)10-12/h4-7,10-11,19H,3,8-9H2,1-2H3
InChIKeyNJXKMWSFKVZJEL-UHFFFAOYSA-N
MW356.69 g/mol
LogP5.29
Rot. Bonds6

About 1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine

1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine (PubChem CID 107615184) has the molecular formula C16H19BrClNO and a molecular weight of 356.69 g/mol. Its IUPAC name is 1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
PubChem CID107615184
Molecular FormulaC16H19BrClNO
Molecular Weight356.69 g/mol
Exact Mass355.03
IUPAC Name1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(-c2ccc(Br)c(Cl)c2)o1
InChIInChI=1S/C16H19BrClNO/c1-3-8-19-11(2)9-13-5-7-16(20-13)12-4-6-14(17)15(18)10-12/h4-7,10-11,19H,3,8-9H2,1-2H3
InChIKeyNJXKMWSFKVZJEL-UHFFFAOYSA-N
XLogP5.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.69
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 81274606
1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 55188418
N-propyl-1-[5-(4-propylphenyl)furan-2-yl]propan-2-amine
CID 63398712
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398553
1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine
CID 65474544
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107577105
1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine
CID 107586256
1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398595
N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine
CID 63085650
N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine
CID 63398766
1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 63399061
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107626829

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine?
The IUPAC name of 1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine (CID 107615184) is 1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine.
What is the SMILES notation for 1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine?
The canonical SMILES for 1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine is CCCNC(C)Cc1ccc(-c2ccc(Br)c(Cl)c2)o1.
What is the InChIKey of 1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine?
The InChIKey is NJXKMWSFKVZJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClNO/c1-3-8-19-11(2)9-13-5-7-16(20-13)12-4-6-14(17)15(18)10-12/h4-7,10-11,19H,3,8-9H2,1-2H3.
What are the key properties of 1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine?
1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine has a molecular weight of 356.69 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine is sourced from PubChem (CID 107615184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).