1-(4-bromo-5-methylthiophen-2-yl)-2-phenyl-N-propylbutan-1-amine

C18H24BrNS — CID 102827853

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-2-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(Br)c(C)s1)C(CC)c1ccccc1
InChIInChI=1S/C18H24BrNS/c1-4-11-20-18(17-12-16(19)13(3)21-17)15(5-2)14-9-7-6-8-10-14/h6-10,12,15,18,20H,4-5,11H2,1-3H3
InChIKeyWCOGGXUOIKCBIB-UHFFFAOYSA-N
MW366.37 g/mol
LogP6.05
Rot. Bonds7

About 1-(4-bromo-5-methylthiophen-2-yl)-2-phenyl-N-propylbutan-1-amine

1-(4-bromo-5-methylthiophen-2-yl)-2-phenyl-N-propylbutan-1-amine (PubChem CID 102827853) has the molecular formula C18H24BrNS and a molecular weight of 366.37 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-2-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-2-phenyl-N-propylbutan-1-amine
PubChem CID102827853
Molecular FormulaC18H24BrNS
Molecular Weight366.37 g/mol
Exact Mass365.08
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-2-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(Br)c(C)s1)C(CC)c1ccccc1
InChIInChI=1S/C18H24BrNS/c1-4-11-20-18(17-12-16(19)13(3)21-17)15(5-2)14-9-7-6-8-10-14/h6-10,12,15,18,20H,4-5,11H2,1-3H3
InChIKeyWCOGGXUOIKCBIB-UHFFFAOYSA-N
XLogP6.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 43497928
1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115811575
N-[(4-bromo-5-methylthiophen-2-yl)-(4-ethylphenyl)methyl]propan-1-amine
CID 102827854
1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115801219
1-(3-chlorothiophen-2-yl)-2-phenyl-N-propylbutan-1-amine
CID 80529506
3-phenyl-N-propylpentan-2-amine
CID 66438754
N-[(3-bromo-5-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine
CID 102827845
1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 80533794
1-(4-bromo-5-methylthiophen-2-yl)-N-propyldecan-1-amine
CID 102827908
1-(4-bromo-5-methylthiophen-2-yl)-N-propylheptan-1-amine
CID 102827771
N-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine
CID 102827933
1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine
CID 63505814

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-phenyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-phenyl-N-propylbutan-1-amine (CID 102827853) is 1-(4-bromo-5-methylthiophen-2-yl)-2-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-2-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-2-phenyl-N-propylbutan-1-amine is CCCNC(c1cc(Br)c(C)s1)C(CC)c1ccccc1.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-2-phenyl-N-propylbutan-1-amine?
The InChIKey is WCOGGXUOIKCBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNS/c1-4-11-20-18(17-12-16(19)13(3)21-17)15(5-2)14-9-7-6-8-10-14/h6-10,12,15,18,20H,4-5,11H2,1-3H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-2-phenyl-N-propylbutan-1-amine?
1-(4-bromo-5-methylthiophen-2-yl)-2-phenyl-N-propylbutan-1-amine has a molecular weight of 366.37 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-2-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 102827853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).