(5-bromothiophen-3-yl)-(4-butylphenyl)methanamine

C15H18BrNS — CID 107960521

IUPAC(5-bromothiophen-3-yl)-(4-butylphenyl)methanamine
SMILESCCCCc1ccc(C(N)c2csc(Br)c2)cc1
InChIInChI=1S/C15H18BrNS/c1-2-3-4-11-5-7-12(8-6-11)15(17)13-9-14(16)18-10-13/h5-10,15H,2-4,17H2,1H3
InChIKeyOZZWPFRPWPREDW-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.90
Rot. Bonds5

About (5-bromothiophen-3-yl)-(4-butylphenyl)methanamine

(5-bromothiophen-3-yl)-(4-butylphenyl)methanamine (PubChem CID 107960521) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(4-butylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(4-butylphenyl)methanamine
PubChem CID107960521
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name(5-bromothiophen-3-yl)-(4-butylphenyl)methanamine
SMILESCCCCc1ccc(C(N)c2csc(Br)c2)cc1
InChIInChI=1S/C15H18BrNS/c1-2-3-4-11-5-7-12(8-6-11)15(17)13-9-14(16)18-10-13/h5-10,15H,2-4,17H2,1H3
InChIKeyOZZWPFRPWPREDW-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butylphenyl)-thiophen-2-ylmethanamine
CID 4962878
(2-bromo-5-methylphenyl)-(4-butylphenyl)methanamine
CID 81111134
(2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine
CID 43096393
(4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine
CID 43629735
1-(5-bromothiophen-3-yl)nonan-1-amine
CID 105128036
1-benzothiophen-3-yl-(4-butylphenyl)methanamine
CID 63523268
N-[(5-bromothiophen-3-yl)-(4-propylphenyl)methyl]propan-1-amine
CID 105144437
(4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 43464336
2-bromo-4-[chloro-(4-ethylphenyl)methyl]thiophene
CID 107964496
(R)-(4-propylphenyl)-thiophen-2-ylmethanamine
CID 7129560
1-[bromo-(4-butylphenyl)methyl]-4-propylbenzene
CID 139632496
2-bromo-5-[(4-butylphenyl)-chloromethyl]thiophene
CID 63431686

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(4-butylphenyl)methanamine?
The IUPAC name of (5-bromothiophen-3-yl)-(4-butylphenyl)methanamine (CID 107960521) is (5-bromothiophen-3-yl)-(4-butylphenyl)methanamine.
What is the SMILES notation for (5-bromothiophen-3-yl)-(4-butylphenyl)methanamine?
The canonical SMILES for (5-bromothiophen-3-yl)-(4-butylphenyl)methanamine is CCCCc1ccc(C(N)c2csc(Br)c2)cc1.
What is the InChIKey of (5-bromothiophen-3-yl)-(4-butylphenyl)methanamine?
The InChIKey is OZZWPFRPWPREDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-2-3-4-11-5-7-12(8-6-11)15(17)13-9-14(16)18-10-13/h5-10,15H,2-4,17H2,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(4-butylphenyl)methanamine?
(5-bromothiophen-3-yl)-(4-butylphenyl)methanamine has a molecular weight of 324.29 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(4-butylphenyl)methanamine is sourced from PubChem (CID 107960521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).