1-[2-(2,5-dichlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine

C9H11Cl2NS — CID 131026581

IUPAC1-[2-(2,5-dichlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1CC1c1cc(Cl)sc1Cl
InChIInChI=1S/C9H11Cl2NS/c1-12-4-5-2-6(5)7-3-8(10)13-9(7)11/h3,5-6,12H,2,4H2,1H3
InChIKeyNDVLLAORLRWCMJ-UHFFFAOYSA-N
MW236.17 g/mol
LogP3.38
Rot. Bonds3

About 1-[2-(2,5-dichlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine

1-[2-(2,5-dichlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine (PubChem CID 131026581) has the molecular formula C9H11Cl2NS and a molecular weight of 236.17 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,5-dichlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine
PubChem CID131026581
Molecular FormulaC9H11Cl2NS
Molecular Weight236.17 g/mol
Exact Mass235.00
IUPAC Name1-[2-(2,5-dichlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1CC1c1cc(Cl)sc1Cl
InChIInChI=1S/C9H11Cl2NS/c1-12-4-5-2-6(5)7-3-8(10)13-9(7)11/h3,5-6,12H,2,4H2,1H3
InChIKeyNDVLLAORLRWCMJ-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.17
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine
CID 130679836
1-[2-(5-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 114860003
1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 114488832
1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558271
N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine
CID 94558305
1-[2-(4-bromo-5-methylthiophen-2-yl)cyclopropyl]-N-methylmethanamine
CID 102844339
1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558414
1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558417
N-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]methanamine
CID 130892936
1-[2-(5-fluoro-2-methylselanylphenyl)cyclopropyl]-N-methylmethanamine
CID 177366300
N-methyl-1-[(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropyl]methanamine
CID 94558404
N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine
CID 53275665

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,5-dichlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine (CID 131026581) is 1-[2-(2,5-dichlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,5-dichlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,5-dichlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine is CNCC1CC1c1cc(Cl)sc1Cl.
What is the InChIKey of 1-[2-(2,5-dichlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine?
The InChIKey is NDVLLAORLRWCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NS/c1-12-4-5-2-6(5)7-3-8(10)13-9(7)11/h3,5-6,12H,2,4H2,1H3.
What are the key properties of 1-[2-(2,5-dichlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine?
1-[2-(2,5-dichlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine has a molecular weight of 236.17 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 131026581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).