1-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine

C10H16ClNOS — CID 107360210

IUPAC1-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine
SMILESCCCC(OC)C(N)c1sccc1Cl
InChIInChI=1S/C10H16ClNOS/c1-3-4-8(13-2)9(12)10-7(11)5-6-14-10/h5-6,8-9H,3-4,12H2,1-2H3
InChIKeyWKMQKFIQQGWQED-UHFFFAOYSA-N
MW233.76 g/mol
LogP3.22
Rot. Bonds5

About 1-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine

1-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine (PubChem CID 107360210) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine
PubChem CID107360210
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name1-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine
SMILESCCCC(OC)C(N)c1sccc1Cl
InChIInChI=1S/C10H16ClNOS/c1-3-4-8(13-2)9(12)10-7(11)5-6-14-10/h5-6,8-9H,3-4,12H2,1-2H3
InChIKeyWKMQKFIQQGWQED-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-methoxypentan-1-amine
CID 116718662
(1R)-1-(3-chlorothiophen-2-yl)-2-methoxyethanamine
CID 130987016
1-(3-chlorothiophen-2-yl)heptan-1-amine
CID 114752614
1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine
CID 130961429
1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine
CID 116718489
(1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol
CID 130674240
N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 116719262
(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
CID 81121868
1-(3-chlorothiophen-2-yl)hexan-1-ol
CID 80530393
1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine
CID 107360324
(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine
CID 130714620
1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine
CID 171288871

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine (CID 107360210) is 1-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine is CCCC(OC)C(N)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine?
The InChIKey is WKMQKFIQQGWQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-3-4-8(13-2)9(12)10-7(11)5-6-14-10/h5-6,8-9H,3-4,12H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine?
1-(3-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-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine is sourced from PubChem (CID 107360210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).