1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine

C13H13ClFNS — CID 82889413

IUPAC1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCC(NCc1ccsc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H13ClFNS/c1-9(16-7-10-4-5-17-8-10)11-2-3-12(14)13(15)6-11/h2-6,8-9,16H,7H2,1H3
InChIKeyYKCDWMSRVKHNJB-UHFFFAOYSA-N
MW269.77 g/mol
LogP4.39
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine

1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 82889413) has the molecular formula C13H13ClFNS and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID82889413
Molecular FormulaC13H13ClFNS
Molecular Weight269.77 g/mol
Exact Mass269.04
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCC(NCc1ccsc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H13ClFNS/c1-9(16-7-10-4-5-17-8-10)11-2-3-12(14)13(15)6-11/h2-6,8-9,16H,7H2,1H3
InChIKeyYKCDWMSRVKHNJB-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103881398
1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 62049139
1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 82889677
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 63420735
N-(thiophen-3-ylmethyl)-1-(2,3,4-trichlorophenyl)ethanamine
CID 63247881
1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 114024608
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81357069
1-(4-chloro-3-fluorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 82887406
(1R)-1-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]ethanamine
CID 78921742
N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 63002073
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylethanamine
CID 78950457
(1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81371445

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine (CID 82889413) is 1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine is CC(NCc1ccsc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is YKCDWMSRVKHNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNS/c1-9(16-7-10-4-5-17-8-10)11-2-3-12(14)13(15)6-11/h2-6,8-9,16H,7H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine?
1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 269.77 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 82889413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).