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

C18H24ClNS — CID 43734683

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine
SMILESCCC(CC)C(NC(C)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C18H24ClNS/c1-4-14(5-2)18(15-9-7-6-8-10-15)20-13(3)16-11-12-17(19)21-16/h6-14,18,20H,4-5H2,1-3H3
InChIKeyUHTYLWMBKITRKA-UHFFFAOYSA-N
MW321.92 g/mol
LogP6.23
Rot. Bonds7

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

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine (PubChem CID 43734683) has the molecular formula C18H24ClNS and a molecular weight of 321.92 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine
PubChem CID43734683
Molecular FormulaC18H24ClNS
Molecular Weight321.92 g/mol
Exact Mass321.13
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine
SMILESCCC(CC)C(NC(C)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C18H24ClNS/c1-4-14(5-2)18(15-9-7-6-8-10-15)20-13(3)16-11-12-17(19)21-16/h6-14,18,20H,4-5H2,1-3H3
InChIKeyUHTYLWMBKITRKA-UHFFFAOYSA-N
XLogP6.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.92
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685388
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43692482
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
CID 43782969
(4S)-4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-4-phenylbutan-1-ol
CID 97322792
(1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
CID 97322859
(1R)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
CID 97322861
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate
CID 62111155
N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 43438933
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol
CID 103783012
1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43382000
1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine
CID 43677459

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine (CID 43734683) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine is CCC(CC)C(NC(C)c1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine?
The InChIKey is UHTYLWMBKITRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNS/c1-4-14(5-2)18(15-9-7-6-8-10-15)20-13(3)16-11-12-17(19)21-16/h6-14,18,20H,4-5H2,1-3H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine has a molecular weight of 321.92 g/mol, XLogP of 6.23, 7 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-ethyl-1-phenylbutan-1-amine is sourced from PubChem (CID 43734683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).