N-methyl-1-(2-methylcyclopentyl)-1-[3-(trifluoromethoxy)phenyl]methanamine

C15H20F3NO — CID 107188682

IUPACN-methyl-1-(2-methylcyclopentyl)-1-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1cccc(OC(F)(F)F)c1)C1CCCC1C
InChIInChI=1S/C15H20F3NO/c1-10-5-3-8-13(10)14(19-2)11-6-4-7-12(9-11)20-15(16,17)18/h4,6-7,9-10,13-14,19H,3,5,8H2,1-2H3
InChIKeyPKBGALDPGCLJGS-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.28
Rot. Bonds4

About N-methyl-1-(2-methylcyclopentyl)-1-[3-(trifluoromethoxy)phenyl]methanamine

N-methyl-1-(2-methylcyclopentyl)-1-[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 107188682) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is N-methyl-1-(2-methylcyclopentyl)-1-[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylcyclopentyl)-1-[3-(trifluoromethoxy)phenyl]methanamine
PubChem CID107188682
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC NameN-methyl-1-(2-methylcyclopentyl)-1-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1cccc(OC(F)(F)F)c1)C1CCCC1C
InChIInChI=1S/C15H20F3NO/c1-10-5-3-8-13(10)14(19-2)11-6-4-7-12(9-11)20-15(16,17)18/h4,6-7,9-10,13-14,19H,3,5,8H2,1-2H3
InChIKeyPKBGALDPGCLJGS-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine
CID 107190280
N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 65419758
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191373
N-methyl-1-phenyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916540
[(2,2-dimethylcyclopentyl)-[3-(trifluoromethoxy)phenyl]methyl]hydrazine
CID 107193892
2-[(3-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 21317833
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191379
N-methyl-1-(2-methylcyclopentyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107177156
[thian-2-yl-[3-(trifluoromethoxy)phenyl]methyl]hydrazine
CID 105255890
2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 107104720
[2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105305199
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 105051662

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylcyclopentyl)-1-[3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-(2-methylcyclopentyl)-1-[3-(trifluoromethoxy)phenyl]methanamine (CID 107188682) is N-methyl-1-(2-methylcyclopentyl)-1-[3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-(2-methylcyclopentyl)-1-[3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-(2-methylcyclopentyl)-1-[3-(trifluoromethoxy)phenyl]methanamine is CNC(c1cccc(OC(F)(F)F)c1)C1CCCC1C.
What is the InChIKey of N-methyl-1-(2-methylcyclopentyl)-1-[3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is PKBGALDPGCLJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-10-5-3-8-13(10)14(19-2)11-6-4-7-12(9-11)20-15(16,17)18/h4,6-7,9-10,13-14,19H,3,5,8H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylcyclopentyl)-1-[3-(trifluoromethoxy)phenyl]methanamine?
N-methyl-1-(2-methylcyclopentyl)-1-[3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 287.32 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylcyclopentyl)-1-[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 107188682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).