(E)-3-(4-bromo-5-chlorothiophen-2-yl)-N-propan-2-ylprop-2-en-1-amine

C10H13BrClNS — CID 102845615

IUPAC(E)-3-(4-bromo-5-chlorothiophen-2-yl)-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)NC/C=C/c1cc(Br)c(Cl)s1
InChIInChI=1S/C10H13BrClNS/c1-7(2)13-5-3-4-8-6-9(11)10(12)14-8/h3-4,6-7,13H,5H2,1-2H3/b4-3+
InChIKeyIIDVVWDTTGOLMP-ONEGZZNKSA-N
MW294.65 g/mol
LogP4.18
Rot. Bonds4

About (E)-3-(4-bromo-5-chlorothiophen-2-yl)-N-propan-2-ylprop-2-en-1-amine

(E)-3-(4-bromo-5-chlorothiophen-2-yl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 102845615) has the molecular formula C10H13BrClNS and a molecular weight of 294.65 g/mol. Its IUPAC name is (E)-3-(4-bromo-5-chlorothiophen-2-yl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(4-bromo-5-chlorothiophen-2-yl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID102845615
Molecular FormulaC10H13BrClNS
Molecular Weight294.65 g/mol
Exact Mass292.96
IUPAC Name(E)-3-(4-bromo-5-chlorothiophen-2-yl)-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)NC/C=C/c1cc(Br)c(Cl)s1
InChIInChI=1S/C10H13BrClNS/c1-7(2)13-5-3-4-8-6-9(11)10(12)14-8/h3-4,6-7,13H,5H2,1-2H3/b4-3+
InChIKeyIIDVVWDTTGOLMP-ONEGZZNKSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.65
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine
CID 102829960
3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine
CID 79347279
(E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 106889701
2-[(4-bromo-5-chlorothiophen-2-yl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 102845586
3-(3,5-dibromo-2-methoxyphenyl)-N-propan-2-ylprop-2-en-1-amine
CID 79347276
N-[2-[1-[2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-2-amine
CID 102838187
(E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine
CID 112618757
(E)-4-(4,5-dibromothiophen-2-yl)-N-ethylbut-3-en-2-amine
CID 103092444
1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
CID 102828282
3-(4-bromo-5-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 102845636
(E)-3-(3-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine
CID 114489355
(E)-3-(4-bromo-5-methylthiophen-2-yl)prop-2-en-1-ol
CID 102845523

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromo-5-chlorothiophen-2-yl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of (E)-3-(4-bromo-5-chlorothiophen-2-yl)-N-propan-2-ylprop-2-en-1-amine (CID 102845615) is (E)-3-(4-bromo-5-chlorothiophen-2-yl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(4-bromo-5-chlorothiophen-2-yl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(4-bromo-5-chlorothiophen-2-yl)-N-propan-2-ylprop-2-en-1-amine is CC(C)NC/C=C/c1cc(Br)c(Cl)s1.
What is the InChIKey of (E)-3-(4-bromo-5-chlorothiophen-2-yl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is IIDVVWDTTGOLMP-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H13BrClNS/c1-7(2)13-5-3-4-8-6-9(11)10(12)14-8/h3-4,6-7,13H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-3-(4-bromo-5-chlorothiophen-2-yl)-N-propan-2-ylprop-2-en-1-amine?
(E)-3-(4-bromo-5-chlorothiophen-2-yl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 294.65 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromo-5-chlorothiophen-2-yl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 102845615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).