N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine

C10H16ClNOS — CID 43438937

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-7(6-13-3)12-8(2)9-4-5-10(11)14-9/h4-5,7-8,12H,6H2,1-3H3
InChIKeyYUSAORJHGFBSEG-UHFFFAOYSA-N
MW233.76 g/mol
LogP3.09
Rot. Bonds5

About N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine (PubChem CID 43438937) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine
PubChem CID43438937
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-7(6-13-3)12-8(2)9-4-5-10(11)14-9/h4-5,7-8,12H,6H2,1-3H3
InChIKeyYUSAORJHGFBSEG-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 43438933
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine
CID 115708442
1-methoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 81399226
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide
CID 61469359
1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine
CID 43677459
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
CID 43782969
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43692555
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43439053
1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43382000
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol
CID 115894315

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine (CID 43438937) is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine is COCC(C)NC(C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is YUSAORJHGFBSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-7(6-13-3)12-8(2)9-4-5-10(11)14-9/h4-5,7-8,12H,6H2,1-3H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 233.76 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 43438937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).