(R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine

C18H14F3NS — CID 171231154

IUPAC(R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESN[C@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1cccs1
InChIInChI=1S/C18H14F3NS/c19-18(20,21)15-9-7-13(8-10-15)12-3-5-14(6-4-12)17(22)16-2-1-11-23-16/h1-11,17H,22H2/t17-/m1/s1
InChIKeyCNPMIIZWUFSSJY-QGZVFWFLSA-N
MW333.38 g/mol
LogP5.48
Rot. Bonds3

About (R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine

(R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine (PubChem CID 171231154) has the molecular formula C18H14F3NS and a molecular weight of 333.38 g/mol. Its IUPAC name is (R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name(R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine
PubChem CID171231154
Molecular FormulaC18H14F3NS
Molecular Weight333.38 g/mol
Exact Mass333.08
IUPAC Name(R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESN[C@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1cccs1
InChIInChI=1S/C18H14F3NS/c19-18(20,21)15-9-7-13(8-10-15)12-3-5-14(6-4-12)17(22)16-2-1-11-23-16/h1-11,17H,22H2/t17-/m1/s1
InChIKeyCNPMIIZWUFSSJY-QGZVFWFLSA-N
XLogP5.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.38
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
CID 171227008
(R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
CID 171234951
(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073
N-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 43483425
(5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 79992170
(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 80529980
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 61032956
(R)-(4-propylphenyl)-thiophen-2-ylmethanamine
CID 7129560
thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
CID 55132689
1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 43150849

Frequently Asked Questions

What is the IUPAC name of (R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine?
The IUPAC name of (R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine (CID 171231154) is (R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for (R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine?
The canonical SMILES for (R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine is N[C@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1cccs1.
What is the InChIKey of (R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine?
The InChIKey is CNPMIIZWUFSSJY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H14F3NS/c19-18(20,21)15-9-7-13(8-10-15)12-3-5-14(6-4-12)17(22)16-2-1-11-23-16/h1-11,17H,22H2/t17-/m1/s1.
What are the key properties of (R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine?
(R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine has a molecular weight of 333.38 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 171231154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).