(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine

C19H16F3NO2 — CID 171239323

IUPAC(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCOc1ccc2cc([C@@H](N)c3ccc(OC(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C19H16F3NO2/c1-24-17-9-6-13-10-15(3-2-14(13)11-17)18(23)12-4-7-16(8-5-12)25-19(20,21)22/h2-11,18H,23H2,1H3/t18-/m0/s1
InChIKeyFDLVDLCLAYPZBJ-SFHVURJKSA-N
MW347.34 g/mol
LogP4.80
Rot. Bonds4

About (S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine

(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171239323) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is (S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171239323
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCOc1ccc2cc([C@@H](N)c3ccc(OC(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C19H16F3NO2/c1-24-17-9-6-13-10-15(3-2-14(13)11-17)18(23)12-4-7-16(8-5-12)25-19(20,21)22/h2-11,18H,23H2,1H3/t18-/m0/s1
InChIKeyFDLVDLCLAYPZBJ-SFHVURJKSA-N
XLogP4.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246015
(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
(R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171248315
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-methoxyphenol;hydrochloride
CID 171239810
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol
CID 171246193
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,2-diol
CID 171245554
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508

Frequently Asked Questions

What is the IUPAC name of (S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 171239323) is (S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine is COc1ccc2cc([C@@H](N)c3ccc(OC(F)(F)F)cc3)ccc2c1.
What is the InChIKey of (S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is FDLVDLCLAYPZBJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16F3NO2/c1-24-17-9-6-13-10-15(3-2-14(13)11-17)18(23)12-4-7-16(8-5-12)25-19(20,21)22/h2-11,18H,23H2,1H3/t18-/m0/s1.
What are the key properties of (S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine?
(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 347.34 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171239323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).