(1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine

C17H16FNS2 — CID 81391284

IUPAC(1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](NCc1ccc(F)c(-c2cccs2)c1)c1cccs1
InChIInChI=1S/C17H16FNS2/c1-12(16-4-2-8-20-16)19-11-13-6-7-15(18)14(10-13)17-5-3-9-21-17/h2-10,12,19H,11H2,1H3/t12-/m0/s1
InChIKeySPFCEDZEOXSJRP-LBPRGKRZSA-N
MW317.45 g/mol
LogP5.47
Rot. Bonds5

About (1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine

(1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 81391284) has the molecular formula C17H16FNS2 and a molecular weight of 317.45 g/mol. Its IUPAC name is (1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine
PubChem CID81391284
Molecular FormulaC17H16FNS2
Molecular Weight317.45 g/mol
Exact Mass317.07
IUPAC Name(1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](NCc1ccc(F)c(-c2cccs2)c1)c1cccs1
InChIInChI=1S/C17H16FNS2/c1-12(16-4-2-8-20-16)19-11-13-6-7-15(18)14(10-13)17-5-3-9-21-17/h2-10,12,19H,11H2,1H3/t12-/m0/s1
InChIKeySPFCEDZEOXSJRP-LBPRGKRZSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.45
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 82709130
(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683392
3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]pentanenitrile
CID 62646412
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline
CID 63420445
4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
CID 63422472
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683372
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 61058996
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine
CID 83010258
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 61104385
(1S)-N-[(4-bromo-3-methylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398523
4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol
CID 61103429
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine (CID 81391284) is (1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine is C[C@H](NCc1ccc(F)c(-c2cccs2)c1)c1cccs1.
What is the InChIKey of (1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is SPFCEDZEOXSJRP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16FNS2/c1-12(16-4-2-8-20-16)19-11-13-6-7-15(18)14(10-13)17-5-3-9-21-17/h2-10,12,19H,11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine?
(1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 317.45 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81391284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).