(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine

C14H16FNS — CID 105371284

IUPAC(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1ccc(F)cc1CN[C@H](C)c1cccs1
InChIInChI=1S/C14H16FNS/c1-10-5-6-13(15)8-12(10)9-16-11(2)14-4-3-7-17-14/h3-8,11,16H,9H2,1-2H3/t11-/m1/s1
InChIKeyJRQOCOCRLVGSCV-LLVKDONJSA-N
MW249.35 g/mol
LogP4.05
Rot. Bonds4

About (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine

(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 105371284) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine
PubChem CID105371284
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1ccc(F)cc1CN[C@H](C)c1cccs1
InChIInChI=1S/C14H16FNS/c1-10-5-6-13(15)8-12(10)9-16-11(2)14-4-3-7-17-14/h3-8,11,16H,9H2,1-2H3/t11-/m1/s1
InChIKeyJRQOCOCRLVGSCV-LLVKDONJSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(5-fluoro-2-nitrophenyl)methyl]-1-thiophen-2-ylethanamine
CID 81408094
(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683392
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943659
2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 103940711
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
1-(5-fluoro-2-methoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943695
3-methyl-4-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzonitrile
CID 104930148
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398150
N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182728
(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 105371258
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine (CID 105371284) is (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine is Cc1ccc(F)cc1CN[C@H](C)c1cccs1.
What is the InChIKey of (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is JRQOCOCRLVGSCV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16FNS/c1-10-5-6-13(15)8-12(10)9-16-11(2)14-4-3-7-17-14/h3-8,11,16H,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine?
(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 249.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 105371284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).