1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine

C15H20BrNOS — CID 105139656

IUPAC1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccco1)Cc1sccc1Br
InChIInChI=1S/C15H20BrNOS/c1-2-8-17-12(5-6-13-4-3-9-18-13)11-15-14(16)7-10-19-15/h3-4,7,9-10,12,17H,2,5-6,8,11H2,1H3
InChIKeyCHGKIOHFIJWBAC-UHFFFAOYSA-N
MW342.30 g/mol
LogP4.65
Rot. Bonds8

About 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine

1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine (PubChem CID 105139656) has the molecular formula C15H20BrNOS and a molecular weight of 342.30 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine
PubChem CID105139656
Molecular FormulaC15H20BrNOS
Molecular Weight342.30 g/mol
Exact Mass341.04
IUPAC Name1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccco1)Cc1sccc1Br
InChIInChI=1S/C15H20BrNOS/c1-2-8-17-12(5-6-13-4-3-9-18-13)11-15-14(16)7-10-19-15/h3-4,7,9-10,12,17H,2,5-6,8,11H2,1H3
InChIKeyCHGKIOHFIJWBAC-UHFFFAOYSA-N
XLogP4.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 105139496
4-(furan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105169314
1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine
CID 105139445
3-(3-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79088293
1-(furan-2-yl)-N-propyldodecan-3-amine
CID 105124522
1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine
CID 103053057
1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 63417463
1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine
CID 102928573
1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine
CID 115848931
1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105139578
1-cyclopropyl-5-(furan-2-yl)-N-propylpentan-3-amine
CID 105157945
1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105177408

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine (CID 105139656) is 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine is CCCNC(CCc1ccco1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine?
The InChIKey is CHGKIOHFIJWBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNOS/c1-2-8-17-12(5-6-13-4-3-9-18-13)11-15-14(16)7-10-19-15/h3-4,7,9-10,12,17H,2,5-6,8,11H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine?
1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine has a molecular weight of 342.30 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 105139656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).