(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine

C13H13ClFNS — CID 28683186

IUPAC(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(Cl)s1)c1cccc(F)c1
InChIInChI=1S/C13H13ClFNS/c1-9(10-3-2-4-11(15)7-10)16-8-12-5-6-13(14)17-12/h2-7,9,16H,8H2,1H3/t9-/m1/s1
InChIKeyWUZSNRNOXSUTKR-SECBINFHSA-N
MW269.77 g/mol
LogP4.39
Rot. Bonds4

About (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine

(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 28683186) has the molecular formula C13H13ClFNS and a molecular weight of 269.77 g/mol. Its IUPAC name is (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
PubChem CID28683186
Molecular FormulaC13H13ClFNS
Molecular Weight269.77 g/mol
Exact Mass269.04
IUPAC Name(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(Cl)s1)c1cccc(F)c1
InChIInChI=1S/C13H13ClFNS/c1-9(10-3-2-4-11(15)7-10)16-8-12-5-6-13(14)17-12/h2-7,9,16H,8H2,1H3/t9-/m1/s1
InChIKeyWUZSNRNOXSUTKR-SECBINFHSA-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

N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182699
(1R)-1-(3-bromophenyl)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81382627
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 43179335
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 28564868
N-[3-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]acetamide
CID 43096448
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 104878345
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 43181722
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 28655921
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356848
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43080559

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine (CID 28683186) is (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine is C[C@@H](NCc1ccc(Cl)s1)c1cccc(F)c1.
What is the InChIKey of (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is WUZSNRNOXSUTKR-SECBINFHSA-N. The full InChI is InChI=1S/C13H13ClFNS/c1-9(10-3-2-4-11(15)7-10)16-8-12-5-6-13(14)17-12/h2-7,9,16H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)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 (1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 28683186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).