1-(5-chlorothiophen-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine

C13H22ClNOS — CID 116720675

IUPAC1-(5-chlorothiophen-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(Cl)s1)C(OC)C(C)C
InChIInChI=1S/C13H22ClNOS/c1-5-8-15-12(13(16-4)9(2)3)10-6-7-11(14)17-10/h6-7,9,12-13,15H,5,8H2,1-4H3
InChIKeyGKLUBHVUZNNRIK-UHFFFAOYSA-N
MW275.85 g/mol
LogP4.11
Rot. Bonds7

About 1-(5-chlorothiophen-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine

1-(5-chlorothiophen-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 116720675) has the molecular formula C13H22ClNOS and a molecular weight of 275.85 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID116720675
Molecular FormulaC13H22ClNOS
Molecular Weight275.85 g/mol
Exact Mass275.11
IUPAC Name1-(5-chlorothiophen-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(Cl)s1)C(OC)C(C)C
InChIInChI=1S/C13H22ClNOS/c1-5-8-15-12(13(16-4)9(2)3)10-6-7-11(14)17-10/h6-7,9,12-13,15H,5,8H2,1-4H3
InChIKeyGKLUBHVUZNNRIK-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.85
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine
CID 116773278
1-(5-chlorothiophen-2-yl)-N,2-dipropylpentan-1-amine
CID 82984586
1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine
CID 43496970
2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 116720529
1-(3,4-dimethylphenyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720687
3-(5-chlorothiophen-2-yl)-N-propan-2-ylbutan-1-amine
CID 81018474
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051
1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine
CID 43494310
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 114661226
2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 116720561
N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 63503730
1-(5-chlorothiophen-2-yl)-5,5-dimethyl-N-propylhex-3-yn-1-amine
CID 114190643

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine (CID 116720675) is 1-(5-chlorothiophen-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(c1ccc(Cl)s1)C(OC)C(C)C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is GKLUBHVUZNNRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNOS/c1-5-8-15-12(13(16-4)9(2)3)10-6-7-11(14)17-10/h6-7,9,12-13,15H,5,8H2,1-4H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine?
1-(5-chlorothiophen-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 275.85 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116720675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).