cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine

C8H9Cl2NS — CID 5201764

IUPACcyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)C1CC1
InChIInChI=1S/C8H9Cl2NS/c9-6-3-5(8(10)12-6)7(11)4-1-2-4/h3-4,7H,1-2,11H2
InChIKeyIRTIACRJBOVLME-UHFFFAOYSA-N
MW222.14 g/mol
LogP3.46
Rot. Bonds2

About cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine

cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine (PubChem CID 5201764) has the molecular formula C8H9Cl2NS and a molecular weight of 222.14 g/mol. Its IUPAC name is cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine
PubChem CID5201764
Molecular FormulaC8H9Cl2NS
Molecular Weight222.14 g/mol
Exact Mass220.98
IUPAC Namecyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)C1CC1
InChIInChI=1S/C8H9Cl2NS/c9-6-3-5(8(10)12-6)7(11)4-1-2-4/h3-4,7H,1-2,11H2
InChIKeyIRTIACRJBOVLME-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine
CID 61270857
(2,5-dichlorothiophen-3-yl)-(oxolan-2-yl)methanamine
CID 43344806
3-(1-bromo-2-cyclopropylpropyl)-2,5-dichlorothiophene
CID 83149199
(2,5-dichlorothiophen-3-yl)-(1,1-dioxothian-2-yl)methanamine
CID 104518425
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorothiophen-3-yl)methanamine
CID 66395525
2,5-dichloro-3-[chloro(cycloheptyl)methyl]thiophene
CID 63436878
2,5-dichloro-3-[chloro(cyclooctyl)methyl]thiophene
CID 65022750
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 55228205
1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine
CID 107968460
(1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine
CID 82758613
(R)-cyclopropyl-(2,4-dichlorophenyl)methanamine;hydrochloride
CID 171212549
2-[amino(cyclopropyl)methyl]-5-chloroaniline
CID 55270347

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine?
The IUPAC name of cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine (CID 5201764) is cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine.
What is the SMILES notation for cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine?
The canonical SMILES for cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine is NC(c1cc(Cl)sc1Cl)C1CC1.
What is the InChIKey of cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine?
The InChIKey is IRTIACRJBOVLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NS/c9-6-3-5(8(10)12-6)7(11)4-1-2-4/h3-4,7H,1-2,11H2.
What are the key properties of cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine?
cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine has a molecular weight of 222.14 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine is sourced from PubChem (CID 5201764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).