(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine

C16H21F3N2 — CID 115997940

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCN1C2CCC1CC(C(N)c1ccccc1C(F)(F)F)C2
InChIInChI=1S/C16H21F3N2/c1-21-11-6-7-12(21)9-10(8-11)15(20)13-4-2-3-5-14(13)16(17,18)19/h2-5,10-12,15H,6-9,20H2,1H3
InChIKeyMBSXQDLNODJMPM-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.58
Rot. Bonds2

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 115997940) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID115997940
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCN1C2CCC1CC(C(N)c1ccccc1C(F)(F)F)C2
InChIInChI=1S/C16H21F3N2/c1-21-11-6-7-12(21)9-10(8-11)15(20)13-4-2-3-5-14(13)16(17,18)19/h2-5,10-12,15H,6-9,20H2,1H3
InChIKeyMBSXQDLNODJMPM-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
CID 64986967
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206677
(2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998037
(S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171227390
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine
CID 115998020
(2-tert-butylphenyl)-(oxan-4-yl)methanamine
CID 115856077
[2-cyclopentyl-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105299132
thiolan-2-yl-[2-(trifluoromethyl)phenyl]methanamine
CID 80621510
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 61011927
1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521048

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine (CID 115997940) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine is CN1C2CCC1CC(C(N)c1ccccc1C(F)(F)F)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is MBSXQDLNODJMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c1-21-11-6-7-12(21)9-10(8-11)15(20)13-4-2-3-5-14(13)16(17,18)19/h2-5,10-12,15H,6-9,20H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 298.35 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115997940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).