N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine

C14H16ClNS — CID 55032423

IUPACN-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine
SMILESCC(NC(C)c1ccccc1Cl)c1ccsc1
InChIInChI=1S/C14H16ClNS/c1-10(12-7-8-17-9-12)16-11(2)13-5-3-4-6-14(13)15/h3-11,16H,1-2H3
InChIKeyPDMFHTDPRHKODJ-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.81
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine

N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine (PubChem CID 55032423) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine
PubChem CID55032423
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine
SMILESCC(NC(C)c1ccccc1Cl)c1ccsc1
InChIInChI=1S/C14H16ClNS/c1-10(12-7-8-17-9-12)16-11(2)13-5-3-4-6-14(13)15/h3-11,16H,1-2H3
InChIKeyPDMFHTDPRHKODJ-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine
CID 55033046
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 81355519
1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 62089455
1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398285
(1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81377853
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350627
1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398257
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 79691249
N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine
CID 43080283
1-(3-chloro-4-fluorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 43110891
N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine
CID 62089613

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine (CID 55032423) is N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine is CC(NC(C)c1ccccc1Cl)c1ccsc1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine?
The InChIKey is PDMFHTDPRHKODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-10(12-7-8-17-9-12)16-11(2)13-5-3-4-6-14(13)15/h3-11,16H,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine?
N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine has a molecular weight of 265.81 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 55032423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).