(E)-4-[5-(2-bromophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine

C15H16BrNS — CID 103091679

IUPAC(E)-4-[5-(2-bromophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine
SMILESC/C(=C\c1ccc(-c2ccccc2Br)s1)C(C)N
InChIInChI=1S/C15H16BrNS/c1-10(11(2)17)9-12-7-8-15(18-12)13-5-3-4-6-14(13)16/h3-9,11H,17H2,1-2H3/b10-9+
InChIKeyIEHVPHSPOSYZMJ-MDZDMXLPSA-N
MW322.27 g/mol
LogP4.93
Rot. Bonds3

About (E)-4-[5-(2-bromophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine

(E)-4-[5-(2-bromophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine (PubChem CID 103091679) has the molecular formula C15H16BrNS and a molecular weight of 322.27 g/mol. Its IUPAC name is (E)-4-[5-(2-bromophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-[5-(2-bromophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine
PubChem CID103091679
Molecular FormulaC15H16BrNS
Molecular Weight322.27 g/mol
Exact Mass321.02
IUPAC Name(E)-4-[5-(2-bromophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine
SMILESC/C(=C\c1ccc(-c2ccccc2Br)s1)C(C)N
InChIInChI=1S/C15H16BrNS/c1-10(11(2)17)9-12-7-8-15(18-12)13-5-3-4-6-14(13)16/h3-9,11H,17H2,1-2H3/b10-9+
InChIKeyIEHVPHSPOSYZMJ-MDZDMXLPSA-N
XLogP4.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(2-bromophenyl)thiophen-2-yl]-2-methylprop-2-enoic acid
CID 79725688
1-[5-(2-bromophenyl)thiophen-2-yl]ethanone
CID 28818946
3-[5-(2-bromophenyl)thiophen-2-yl]-2-cyano-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 71942916
2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-3-methylbutan-1-amine
CID 79323518
methyl 5-(2-bromophenyl)thiophene-2-carboxylate
CID 117222348
2-(2-chlorophenyl)-5-[(Z)-3-methyl-2-nitrobut-1-enyl]thiophene
CID 115347730
1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653548
2-(2-bromophenyl)-5-[4-[5-(2-iodophenyl)thiophen-2-yl]phenyl]thiophene
CID 139981999
N-tert-butyl-3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine
CID 79343805
2-methyl-1-[5-(2-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43363500
1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine
CID 61470004
(E)-2-benzamido-3-[5-(2-methylphenyl)thiophen-2-yl]prop-2-enoic acid
CID 22148183

Frequently Asked Questions

What is the IUPAC name of (E)-4-[5-(2-bromophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine?
The IUPAC name of (E)-4-[5-(2-bromophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine (CID 103091679) is (E)-4-[5-(2-bromophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-[5-(2-bromophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine?
The canonical SMILES for (E)-4-[5-(2-bromophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine is C/C(=C\c1ccc(-c2ccccc2Br)s1)C(C)N.
What is the InChIKey of (E)-4-[5-(2-bromophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine?
The InChIKey is IEHVPHSPOSYZMJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H16BrNS/c1-10(11(2)17)9-12-7-8-15(18-12)13-5-3-4-6-14(13)16/h3-9,11H,17H2,1-2H3/b10-9+.
What are the key properties of (E)-4-[5-(2-bromophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine?
(E)-4-[5-(2-bromophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine has a molecular weight of 322.27 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[5-(2-bromophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine is sourced from PubChem (CID 103091679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).