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

C12H17Cl2NS — CID 106826810

IUPAC(2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanamine
SMILESCC1(C(N)c2cc(Cl)sc2Cl)CCCCC1
InChIInChI=1S/C12H17Cl2NS/c1-12(5-3-2-4-6-12)10(15)8-7-9(13)16-11(8)14/h7,10H,2-6,15H2,1H3
InChIKeyCSAXEWCFWJWLAF-UHFFFAOYSA-N
MW278.25 g/mol
LogP5.03
Rot. Bonds2

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

(2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanamine (PubChem CID 106826810) has the molecular formula C12H17Cl2NS and a molecular weight of 278.25 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanamine
PubChem CID106826810
Molecular FormulaC12H17Cl2NS
Molecular Weight278.25 g/mol
Exact Mass277.05
IUPAC Name(2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanamine
SMILESCC1(C(N)c2cc(Cl)sc2Cl)CCCCC1
InChIInChI=1S/C12H17Cl2NS/c1-12(5-3-2-4-6-12)10(15)8-7-9(13)16-11(8)14/h7,10H,2-6,15H2,1H3
InChIKeyCSAXEWCFWJWLAF-UHFFFAOYSA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.25
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine
CID 130553124
3-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dichlorothiophene
CID 107182289
(2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine
CID 106827005
(4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine
CID 106830353
(3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine
CID 106826764
[1-[1-(2,5-dichlorothiophen-3-yl)ethylamino]cyclopropyl]methanol
CID 115929592
(1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine
CID 82758613
(2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine
CID 106826771
cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine
CID 5201764
cyclopenten-1-yl-(2,5-dichlorothiophen-3-yl)methanamine
CID 107960915
(2,4-dichlorophenyl)-(1-methylcyclopropyl)methanamine
CID 130517016
(2-methoxy-5-methylphenyl)-(1-methylcyclohexyl)methanamine
CID 106826973

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanamine (CID 106826810) is (2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanamine is CC1(C(N)c2cc(Cl)sc2Cl)CCCCC1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanamine?
The InChIKey is CSAXEWCFWJWLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NS/c1-12(5-3-2-4-6-12)10(15)8-7-9(13)16-11(8)14/h7,10H,2-6,15H2,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanamine?
(2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanamine has a molecular weight of 278.25 g/mol, XLogP of 5.03, 2 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-methylcyclohexyl)methanamine is sourced from PubChem (CID 106826810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).