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

C11H18ClNOS — CID 105135317

IUPAC1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine
SMILESCCOCCCC(N)Cc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNOS/c1-2-14-7-3-4-9(13)8-10-5-6-11(12)15-10/h5-6,9H,2-4,7-8,13H2,1H3
InChIKeyGBNJEGVVMQEEGD-UHFFFAOYSA-N
MW247.79 g/mol
LogP3.09
Rot. Bonds7

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

1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine (PubChem CID 105135317) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine
PubChem CID105135317
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine
SMILESCCOCCCC(N)Cc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNOS/c1-2-14-7-3-4-9(13)8-10-5-6-11(12)15-10/h5-6,9H,2-4,7-8,13H2,1H3
InChIKeyGBNJEGVVMQEEGD-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine
CID 106866285
1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine
CID 79952579
1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine
CID 105135075
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine
CID 106046471
5-ethoxy-1-(furan-2-yl)pentan-2-amine
CID 105177455
1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine
CID 63891076
ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 62962765
2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
CID 170891756
5-ethoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105169241
1-(5-ethylthiophen-2-yl)tridecan-2-amine
CID 115842421
1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine
CID 116758497

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine (CID 105135317) is 1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine is CCOCCCC(N)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine?
The InChIKey is GBNJEGVVMQEEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-2-14-7-3-4-9(13)8-10-5-6-11(12)15-10/h5-6,9H,2-4,7-8,13H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine?
1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine has a molecular weight of 247.79 g/mol, XLogP of 3.09, 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)-5-ethoxypentan-2-amine is sourced from PubChem (CID 105135317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).