1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine

C17H16ClNS2 — CID 43433645

IUPAC1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESCC(NCc1cc(-c2cccs2)cs1)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClNS2/c1-12(13-4-2-5-15(18)8-13)19-10-16-9-14(11-21-16)17-6-3-7-20-17/h2-9,11-12,19H,10H2,1H3
InChIKeyKYHFKLSYWAGPAW-UHFFFAOYSA-N
MW333.91 g/mol
LogP5.98
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine

1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (PubChem CID 43433645) has the molecular formula C17H16ClNS2 and a molecular weight of 333.91 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
PubChem CID43433645
Molecular FormulaC17H16ClNS2
Molecular Weight333.91 g/mol
Exact Mass333.04
IUPAC Name1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESCC(NCc1cc(-c2cccs2)cs1)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClNS2/c1-12(13-4-2-5-15(18)8-13)19-10-16-9-14(11-21-16)17-6-3-7-20-17/h2-9,11-12,19H,10H2,1H3
InChIKeyKYHFKLSYWAGPAW-UHFFFAOYSA-N
XLogP5.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.91
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81355528
1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433745
(1R)-1-(3-fluorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81369744
(1S)-1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28649499
2-[(4-thiophen-2-ylthiophen-2-yl)methylamino]propanoic acid
CID 54959776
1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433657
(1R)-1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81354936
4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
CID 103700932
1-(2-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433659
1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 115680155
(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81366485
N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 79420654

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (CID 43433645) is 1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is CC(NCc1cc(-c2cccs2)cs1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The InChIKey is KYHFKLSYWAGPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNS2/c1-12(13-4-2-5-15(18)8-13)19-10-16-9-14(11-21-16)17-6-3-7-20-17/h2-9,11-12,19H,10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine has a molecular weight of 333.91 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43433645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).