(2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine

C10H13Cl2NS — CID 130553124

IUPAC(2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine
SMILESCCC1(C(N)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C10H13Cl2NS/c1-2-10(3-4-10)8(13)6-5-7(11)14-9(6)12/h5,8H,2-4,13H2,1H3
InChIKeyNSGUFBGTFDTLJB-UHFFFAOYSA-N
MW250.19 g/mol
LogP4.24
Rot. Bonds3

About (2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine

(2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine (PubChem CID 130553124) has the molecular formula C10H13Cl2NS and a molecular weight of 250.19 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine
PubChem CID130553124
Molecular FormulaC10H13Cl2NS
Molecular Weight250.19 g/mol
Exact Mass249.01
IUPAC Name(2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine
SMILESCCC1(C(N)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C10H13Cl2NS/c1-2-10(3-4-10)8(13)6-5-7(11)14-9(6)12/h5,8H,2-4,13H2,1H3
InChIKeyNSGUFBGTFDTLJB-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanamine
CID 106826810
(1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine
CID 82758613
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine
CID 102828032
1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine
CID 114874213
1-(2,5-dichlorothiophen-3-yl)octan-1-amine
CID 43167354
[1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol
CID 115929592
2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene
CID 63436827
cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine
CID 5201764
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine
CID 107968221
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene
CID 114876054

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine (CID 130553124) is (2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine is CCC1(C(N)c2cc(Cl)sc2Cl)CC1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine?
The InChIKey is NSGUFBGTFDTLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NS/c1-2-10(3-4-10)8(13)6-5-7(11)14-9(6)12/h5,8H,2-4,13H2,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine?
(2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine has a molecular weight of 250.19 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine is sourced from PubChem (CID 130553124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).