1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine

C14H23Cl2NOS — CID 107969419

IUPAC1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H23Cl2NOS/c1-5-8-17-11(6-7-14(2,3)18-4)10-9-12(15)19-13(10)16/h9,11,17H,5-8H2,1-4H3
InChIKeyCLNUZOXWBOTHKV-UHFFFAOYSA-N
MW324.32 g/mol
LogP5.30
Rot. Bonds8

About 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine

1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine (PubChem CID 107969419) has the molecular formula C14H23Cl2NOS and a molecular weight of 324.32 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
PubChem CID107969419
Molecular FormulaC14H23Cl2NOS
Molecular Weight324.32 g/mol
Exact Mass323.09
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H23Cl2NOS/c1-5-8-17-11(6-7-14(2,3)18-4)10-9-12(15)19-13(10)16/h9,11,17H,5-8H2,1-4H3
InChIKeyCLNUZOXWBOTHKV-UHFFFAOYSA-N
XLogP5.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.32
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine
CID 43497732
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576
1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine
CID 107969416
1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031475
1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031710
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 106792507
4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 103031413
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
[1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentyl]hydrazine
CID 107970213
4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine
CID 103031708
4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 103035971

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine (CID 107969419) is 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The InChIKey is CLNUZOXWBOTHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Cl2NOS/c1-5-8-17-11(6-7-14(2,3)18-4)10-9-12(15)19-13(10)16/h9,11,17H,5-8H2,1-4H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine has a molecular weight of 324.32 g/mol, XLogP of 5.30, 8 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-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 107969419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).