1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine

C16H20BrNO — CID 55188418

IUPAC1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(-c2cccc(Br)c2)o1
InChIInChI=1S/C16H20BrNO/c1-3-9-18-12(2)10-15-7-8-16(19-15)13-5-4-6-14(17)11-13/h4-8,11-12,18H,3,9-10H2,1-2H3
InChIKeySVIGQKSXOLUXCO-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.64
Rot. Bonds6

About 1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine

1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine (PubChem CID 55188418) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine
PubChem CID55188418
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(-c2cccc(Br)c2)o1
InChIInChI=1S/C16H20BrNO/c1-3-9-18-12(2)10-15-7-8-16(19-15)13-5-4-6-14(17)11-13/h4-8,11-12,18H,3,9-10H2,1-2H3
InChIKeySVIGQKSXOLUXCO-UHFFFAOYSA-N
XLogP4.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 107615184
1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398595
N-propyl-1-[5-(4-propylphenyl)furan-2-yl]propan-2-amine
CID 63398712
1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine
CID 107586256
1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 81274606
1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine
CID 65474544
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398553
N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine
CID 63085650
N-[2-[[5-(3-bromophenyl)furan-2-yl]methylamino]ethyl]-2-methylpropanamide
CID 119109251
1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 63399061
N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine
CID 62498898
3-[5-(3-bromophenyl)furan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880901

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine?
The IUPAC name of 1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine (CID 55188418) is 1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine.
What is the SMILES notation for 1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine?
The canonical SMILES for 1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine is CCCNC(C)Cc1ccc(-c2cccc(Br)c2)o1.
What is the InChIKey of 1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine?
The InChIKey is SVIGQKSXOLUXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-3-9-18-12(2)10-15-7-8-16(19-15)13-5-4-6-14(17)11-13/h4-8,11-12,18H,3,9-10H2,1-2H3.
What are the key properties of 1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine?
1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine has a molecular weight of 322.25 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine is sourced from PubChem (CID 55188418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).