N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine

C17H24ClNS2 — CID 43767499

IUPACN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNC(c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C17H24ClNS2/c1-3-5-7-13(4-2)12-19-17(14-8-6-11-20-14)15-9-10-16(18)21-15/h6,8-11,13,17,19H,3-5,7,12H2,1-2H3
InChIKeyLLHQREWPDXJVPJ-UHFFFAOYSA-N
MW341.97 g/mol
LogP6.36
Rot. Bonds9

About N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine (PubChem CID 43767499) has the molecular formula C17H24ClNS2 and a molecular weight of 341.97 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine
PubChem CID43767499
Molecular FormulaC17H24ClNS2
Molecular Weight341.97 g/mol
Exact Mass341.10
IUPAC NameN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNC(c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C17H24ClNS2/c1-3-5-7-13(4-2)12-19-17(14-8-6-11-20-14)15-9-10-16(18)21-15/h6,8-11,13,17,19H,3-5,7,12H2,1-2H3
InChIKeyLLHQREWPDXJVPJ-UHFFFAOYSA-N
XLogP6.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.97
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-3-ethoxypropan-1-amine
CID 43765306
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methoxyethanamine
CID 43756293
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine
CID 106226083
N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine
CID 43767528
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine
CID 115517345
3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine
CID 63414646
N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine
CID 62694333
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine
CID 62694537
1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
CID 62323529
1-(5-chlorothiophen-2-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 106301944
2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol
CID 79254049

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine (CID 43767499) is N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine is CCCCC(CC)CNC(c1cccs1)c1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine?
The InChIKey is LLHQREWPDXJVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNS2/c1-3-5-7-13(4-2)12-19-17(14-8-6-11-20-14)15-9-10-16(18)21-15/h6,8-11,13,17,19H,3-5,7,12H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine?
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine has a molecular weight of 341.97 g/mol, XLogP of 6.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine is sourced from PubChem (CID 43767499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).