(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine

C18H20F3NO — CID 171240272

IUPAC(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCC(C)(C)c1ccc([C@@H](N)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H20F3NO/c1-17(2,3)14-8-4-12(5-9-14)16(22)13-6-10-15(11-7-13)23-18(19,20)21/h4-11,16H,22H2,1-3H3/t16-/m1/s1
InChIKeyXKGOJUKRPMRVCL-MRXNPFEDSA-N
MW323.36 g/mol
LogP4.93
Rot. Bonds3

About (R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine

(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171240272) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is (R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171240272
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCC(C)(C)c1ccc([C@@H](N)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H20F3NO/c1-17(2,3)14-8-4-12(5-9-14)16(22)13-6-10-15(11-7-13)23-18(19,20)21/h4-11,16H,22H2,1-3H3/t16-/m1/s1
InChIKeyXKGOJUKRPMRVCL-MRXNPFEDSA-N
XLogP4.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
CID 171242116
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4,6-ditert-butylphenol
CID 171240292
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,2-diol
CID 171245554
(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246015
(3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 105016494
(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239323
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
(S)-[2-bromo-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242075

Frequently Asked Questions

What is the IUPAC name of (R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 171240272) is (R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is CC(C)(C)c1ccc([C@@H](N)c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of (R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is XKGOJUKRPMRVCL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20F3NO/c1-17(2,3)14-8-4-12(5-9-14)16(22)13-6-10-15(11-7-13)23-18(19,20)21/h4-11,16H,22H2,1-3H3/t16-/m1/s1.
What are the key properties of (R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 323.36 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171240272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).