(3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine

C12H18ClNOS — CID 107360272

IUPAC(3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine
SMILESCOC1(C(N)c2sccc2Cl)CCCCC1
InChIInChI=1S/C12H18ClNOS/c1-15-12(6-3-2-4-7-12)11(14)10-9(13)5-8-16-10/h5,8,11H,2-4,6-7,14H2,1H3
InChIKeyCHSZOBPPDLITFW-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.75
Rot. Bonds3

About (3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine

(3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine (PubChem CID 107360272) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine
PubChem CID107360272
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name(3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine
SMILESCOC1(C(N)c2sccc2Cl)CCCCC1
InChIInChI=1S/C12H18ClNOS/c1-15-12(6-3-2-4-7-12)11(14)10-9(13)5-8-16-10/h5,8,11H,2-4,6-7,14H2,1H3
InChIKeyCHSZOBPPDLITFW-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol
CID 107359647
(3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine
CID 116762604
(3-chlorothiophen-2-yl)-(1-piperidin-1-ylcyclopentyl)methanamine
CID 107359921
(2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769975
2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene
CID 103557841
1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762885
(3-chlorophenyl)-(1-methoxycyclopentyl)methanamine
CID 104610685
1-[amino-(3-chlorothiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 107359933
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 107360044
(1R)-1-(3-chlorothiophen-2-yl)-2-methoxyethanamine
CID 130987016
2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769828
3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine
CID 116769953

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine (CID 107360272) is (3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine is COC1(C(N)c2sccc2Cl)CCCCC1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine?
The InChIKey is CHSZOBPPDLITFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-15-12(6-3-2-4-7-12)11(14)10-9(13)5-8-16-10/h5,8,11H,2-4,6-7,14H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine?
(3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine has a molecular weight of 259.80 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine is sourced from PubChem (CID 107360272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).