(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine

C9H12BrNS — CID 82295003

IUPAC(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine
SMILESCC1(C(N)c2cc(Br)cs2)CC1
InChIInChI=1S/C9H12BrNS/c1-9(2-3-9)8(11)7-4-6(10)5-12-7/h4-5,8H,2-3,11H2,1H3
InChIKeyWUPCUBWUHPKPJO-UHFFFAOYSA-N
MW246.17 g/mol
LogP3.31
Rot. Bonds2

About (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine

(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine (PubChem CID 82295003) has the molecular formula C9H12BrNS and a molecular weight of 246.17 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine
PubChem CID82295003
Molecular FormulaC9H12BrNS
Molecular Weight246.17 g/mol
Exact Mass244.99
IUPAC Name(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine
SMILESCC1(C(N)c2cc(Br)cs2)CC1
InChIInChI=1S/C9H12BrNS/c1-9(2-3-9)8(11)7-4-6(10)5-12-7/h4-5,8H,2-3,11H2,1H3
InChIKeyWUPCUBWUHPKPJO-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
(4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine
CID 130553169
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190
[3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine
CID 116944962
(1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine
CID 131000476
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
1-(4-bromothiophen-2-yl)ethanol
CID 12792392
(S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine
CID 95457413
2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol
CID 21152201
(4-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65105046
4-bromo-2-pentan-3-ylthiophene
CID 82390181

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine?
The IUPAC name of (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine (CID 82295003) is (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine.
What is the SMILES notation for (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine?
The canonical SMILES for (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine is CC1(C(N)c2cc(Br)cs2)CC1.
What is the InChIKey of (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine?
The InChIKey is WUPCUBWUHPKPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNS/c1-9(2-3-9)8(11)7-4-6(10)5-12-7/h4-5,8H,2-3,11H2,1H3.
What are the key properties of (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine?
(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine has a molecular weight of 246.17 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine is sourced from PubChem (CID 82295003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).