1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine

C17H21Br2NS — CID 43497928

IUPAC1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(Br)sc1Br)C(CC)c1ccccc1
InChIInChI=1S/C17H21Br2NS/c1-3-10-20-16(14-11-15(18)21-17(14)19)13(4-2)12-8-6-5-7-9-12/h5-9,11,13,16,20H,3-4,10H2,1-2H3
InChIKeySKLRXKMGPWLRBN-UHFFFAOYSA-N
MW431.24 g/mol
LogP6.51
Rot. Bonds7

About 1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine

1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine (PubChem CID 43497928) has the molecular formula C17H21Br2NS and a molecular weight of 431.24 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine
PubChem CID43497928
Molecular FormulaC17H21Br2NS
Molecular Weight431.24 g/mol
Exact Mass428.98
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(Br)sc1Br)C(CC)c1ccccc1
InChIInChI=1S/C17H21Br2NS/c1-3-10-20-16(14-11-15(18)21-17(14)19)13(4-2)12-8-6-5-7-9-12/h5-9,11,13,16,20H,3-4,10H2,1-2H3
InChIKeySKLRXKMGPWLRBN-UHFFFAOYSA-N
XLogP6.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.24
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine
CID 43497851
1-(4-bromo-5-methylthiophen-2-yl)-2-phenyl-N-propylbutan-1-amine
CID 102827853
1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115801219
N-[1-(2,5-dibromothiophen-3-yl)-2-phenylethyl]propan-1-amine
CID 43497935
1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103309620
N-[(2,5-dibromothiophen-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43497839
1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115811575
N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine
CID 43497829
1-(3-chlorothiophen-2-yl)-2-phenyl-N-propylbutan-1-amine
CID 80529506
3-phenyl-N-propylpentan-2-amine
CID 66438754
1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 103135439
N-[(2,5-dibromothiophen-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43497910

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine (CID 43497928) is 1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine is CCCNC(c1cc(Br)sc1Br)C(CC)c1ccccc1.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine?
The InChIKey is SKLRXKMGPWLRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Br2NS/c1-3-10-20-16(14-11-15(18)21-17(14)19)13(4-2)12-8-6-5-7-9-12/h5-9,11,13,16,20H,3-4,10H2,1-2H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine?
1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine has a molecular weight of 431.24 g/mol, XLogP of 6.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 43497928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).