N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine

C14H17BrF3NO — CID 107342298

IUPACN-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCc2ccc(OC(F)(F)F)c(Br)c2)CCCC1
InChIInChI=1S/C14H17BrF3NO/c1-13(6-2-3-7-13)19-9-10-4-5-12(11(15)8-10)20-14(16,17)18/h4-5,8,19H,2-3,6-7,9H2,1H3
InChIKeyOUEQQRPRCROWFX-UHFFFAOYSA-N
MW352.19 g/mol
LogP4.77
Rot. Bonds4

About N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine

N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine (PubChem CID 107342298) has the molecular formula C14H17BrF3NO and a molecular weight of 352.19 g/mol. Its IUPAC name is N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine
PubChem CID107342298
Molecular FormulaC14H17BrF3NO
Molecular Weight352.19 g/mol
Exact Mass351.04
IUPAC NameN-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCc2ccc(OC(F)(F)F)c(Br)c2)CCCC1
InChIInChI=1S/C14H17BrF3NO/c1-13(6-2-3-7-13)19-9-10-4-5-12(11(15)8-10)20-14(16,17)18/h4-5,8,19H,2-3,6-7,9H2,1H3
InChIKeyOUEQQRPRCROWFX-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-phenylcyclopropan-1-amine
CID 123294871
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 63454373
N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765892
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1,1-dimethylhydrazine
CID 107342453
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine
CID 107342333
2-N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 107342451
N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine
CID 66473220
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine
CID 107342348
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methylamino]ethanol
CID 107342223
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]aniline
CID 107342163
2-bromo-N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]aniline
CID 107342183
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylcyclopentan-1-amine
CID 61365354

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine?
The IUPAC name of N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine (CID 107342298) is N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine?
The canonical SMILES for N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine is CC1(NCc2ccc(OC(F)(F)F)c(Br)c2)CCCC1.
What is the InChIKey of N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine?
The InChIKey is OUEQQRPRCROWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO/c1-13(6-2-3-7-13)19-9-10-4-5-12(11(15)8-10)20-14(16,17)18/h4-5,8,19H,2-3,6-7,9H2,1H3.
What are the key properties of N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine?
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine has a molecular weight of 352.19 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine is sourced from PubChem (CID 107342298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).