1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine

C11H17Cl2NOS — CID 107969416

IUPAC1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H17Cl2NOS/c1-11(2,15-3)5-4-8(14)7-6-9(12)16-10(7)13/h6,8H,4-5,14H2,1-3H3
InChIKeySBFAYUHQJJTUPG-UHFFFAOYSA-N
MW282.24 g/mol
LogP4.26
Rot. Bonds5

About 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine

1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 107969416) has the molecular formula C11H17Cl2NOS and a molecular weight of 282.24 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine
PubChem CID107969416
Molecular FormulaC11H17Cl2NOS
Molecular Weight282.24 g/mol
Exact Mass281.04
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H17Cl2NOS/c1-11(2,15-3)5-4-8(14)7-6-9(12)16-10(7)13/h6,8H,4-5,14H2,1-3H3
InChIKeySBFAYUHQJJTUPG-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine
CID 107968221
1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 107969419
(1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine
CID 82758613
1-(2,5-dichlorothiophen-3-yl)octan-1-amine
CID 43167354
5-amino-5-(2,5-dichlorothiophen-3-yl)pentanamide
CID 60860350
4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 103031795
1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine
CID 114874213
4-methoxy-4-methyl-1-naphthalen-1-ylpentan-1-amine
CID 103031528
1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031433
[1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentyl]hydrazine
CID 107970213
1-(3-ethyl-6-methylpyridazin-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103031442
1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103035615

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine (CID 107969416) is 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine is COC(C)(C)CCC(N)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is SBFAYUHQJJTUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2NOS/c1-11(2,15-3)5-4-8(14)7-6-9(12)16-10(7)13/h6,8H,4-5,14H2,1-3H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine?
1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine has a molecular weight of 282.24 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 107969416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).