1-(5-chlorothiophen-2-yl)-2-methoxypentan-1-amine

C10H16ClNOS — CID 116718662

IUPAC1-(5-chlorothiophen-2-yl)-2-methoxypentan-1-amine
SMILESCCCC(OC)C(N)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-3-4-7(13-2)10(12)8-5-6-9(11)14-8/h5-7,10H,3-4,12H2,1-2H3
InChIKeyRQENXVKUKFKOGQ-UHFFFAOYSA-N
MW233.76 g/mol
LogP3.22
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-methoxypentan-1-amine

1-(5-chlorothiophen-2-yl)-2-methoxypentan-1-amine (PubChem CID 116718662) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-methoxypentan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-methoxypentan-1-amine
PubChem CID116718662
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name1-(5-chlorothiophen-2-yl)-2-methoxypentan-1-amine
SMILESCCCC(OC)C(N)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-3-4-7(13-2)10(12)8-5-6-9(11)14-8/h5-7,10H,3-4,12H2,1-2H3
InChIKeyRQENXVKUKFKOGQ-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 43114556
(5-chlorothiophen-2-yl)-methoxymethanamine
CID 116947254
1-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine
CID 107360210
(1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride
CID 171220112
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 116723193
1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine
CID 116718489
[1-(5-chlorothiophen-2-yl)-2-methylpentyl]hydrazine
CID 105328244
2-methoxy-1-(2-methoxyphenyl)pentan-1-amine
CID 116718510
N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 43438933
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
CID 93267274
(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171220102

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-methoxypentan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-methoxypentan-1-amine (CID 116718662) is 1-(5-chlorothiophen-2-yl)-2-methoxypentan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-methoxypentan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-methoxypentan-1-amine is CCCC(OC)C(N)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-methoxypentan-1-amine?
The InChIKey is RQENXVKUKFKOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-3-4-7(13-2)10(12)8-5-6-9(11)14-8/h5-7,10H,3-4,12H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-methoxypentan-1-amine?
1-(5-chlorothiophen-2-yl)-2-methoxypentan-1-amine has a molecular weight of 233.76 g/mol, XLogP of 3.22, 5 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-methoxypentan-1-amine is sourced from PubChem (CID 116718662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).