(S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine

C17H15F3N2O2 — CID 171239459

IUPAC(S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCOc1ccc2[nH]cc([C@@H](N)c3ccc(OC(F)(F)F)cc3)c2c1
InChIInChI=1S/C17H15F3N2O2/c1-23-12-6-7-15-13(8-12)14(9-22-15)16(21)10-2-4-11(5-3-10)24-17(18,19)20/h2-9,16,22H,21H2,1H3/t16-/m0/s1
InChIKeyCMOSTVPMQNLAOP-INIZCTEOSA-N
MW336.31 g/mol
LogP4.12
Rot. Bonds4

About (S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine

(S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171239459) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is (S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171239459
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name(S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCOc1ccc2[nH]cc([C@@H](N)c3ccc(OC(F)(F)F)cc3)c2c1
InChIInChI=1S/C17H15F3N2O2/c1-23-12-6-7-15-13(8-12)14(9-22-15)16(21)10-2-4-11(5-3-10)24-17(18,19)20/h2-9,16,22H,21H2,1H3/t16-/m0/s1
InChIKeyCMOSTVPMQNLAOP-INIZCTEOSA-N
XLogP4.12
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole
CID 171273749
(S)-(4-methoxy-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171244237
(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239584
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol
CID 171246523
(S)-(2-bromo-5-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171241289
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol;hydrochloride
CID 171239810
(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239323
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine
CID 135044105
(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239727
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
(2R)-3,3,3-trifluoro-2-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 98042413

Frequently Asked Questions

What is the IUPAC name of (S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 171239459) is (S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine is COc1ccc2[nH]cc([C@@H](N)c3ccc(OC(F)(F)F)cc3)c2c1.
What is the InChIKey of (S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is CMOSTVPMQNLAOP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-23-12-6-7-15-13(8-12)14(9-22-15)16(21)10-2-4-11(5-3-10)24-17(18,19)20/h2-9,16,22H,21H2,1H3/t16-/m0/s1.
What are the key properties of (S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine?
(S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 336.31 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171239459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).