N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine

C12H20ClNS — CID 43782969

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1ccc(Cl)s1)C(C)C
InChIInChI=1S/C12H20ClNS/c1-5-10(8(2)3)14-9(4)11-6-7-12(13)15-11/h6-10,14H,5H2,1-4H3
InChIKeyAUWYTAAUVBMCGO-UHFFFAOYSA-N
MW245.82 g/mol
LogP4.49
Rot. Bonds5

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine (PubChem CID 43782969) has the molecular formula C12H20ClNS and a molecular weight of 245.82 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
PubChem CID43782969
Molecular FormulaC12H20ClNS
Molecular Weight245.82 g/mol
Exact Mass245.10
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1ccc(Cl)s1)C(C)C
InChIInChI=1S/C12H20ClNS/c1-5-10(8(2)3)14-9(4)11-6-7-12(13)15-11/h6-10,14H,5H2,1-4H3
InChIKeyAUWYTAAUVBMCGO-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.82
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
(1R)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
CID 97322861
(1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
CID 97322859
2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide
CID 103875860
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine
CID 43734683
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine
CID 43438937
1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43382000
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685388
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine
CID 115708442
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43692482
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide
CID 43435789

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine (CID 43782969) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine is CCC(NC(C)c1ccc(Cl)s1)C(C)C.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine?
The InChIKey is AUWYTAAUVBMCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNS/c1-5-10(8(2)3)14-9(4)11-6-7-12(13)15-11/h6-10,14H,5H2,1-4H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine has a molecular weight of 245.82 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine is sourced from PubChem (CID 43782969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).