[2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine

C15H20F3NO — CID 81010948

IUPAC[2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine
SMILESNCC1CCCCCC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)20-13-7-4-6-11(9-13)14-8-3-1-2-5-12(14)10-19/h4,6-7,9,12,14H,1-3,5,8,10,19H2
InChIKeyJBMODZRAMSJGNN-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.21
Rot. Bonds3

About [2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine

[2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine (PubChem CID 81010948) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is [2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine
PubChem CID81010948
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name[2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine
SMILESNCC1CCCCCC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)20-13-7-4-6-11(9-13)14-8-3-1-2-5-12(14)10-19/h4,6-7,9,12,14H,1-3,5,8,10,19H2
InChIKeyJBMODZRAMSJGNN-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine
CID 114523516
[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420
trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 91657247
[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]methanamine;N-methylmethanamine
CID 69422945
[2-[2-(trifluoromethoxy)phenyl]cycloheptyl]methanamine
CID 81009543
N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine
CID 63511320
cis-(1R,2R)-2-[3-[difluoro(methoxy)methoxy]phenyl]cyclohexan-1-amine
CID 69296364
2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81416661
1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 81026200
[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine
CID 81009542
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
[2-(4-cyclopropyloxyphenyl)cycloheptyl]methanamine
CID 114520460

Frequently Asked Questions

What is the IUPAC name of [2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine?
The IUPAC name of [2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine (CID 81010948) is [2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine.
What is the SMILES notation for [2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine?
The canonical SMILES for [2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine is NCC1CCCCCC1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of [2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine?
The InChIKey is JBMODZRAMSJGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c16-15(17,18)20-13-7-4-6-11(9-13)14-8-3-1-2-5-12(14)10-19/h4,6-7,9,12,14H,1-3,5,8,10,19H2.
What are the key properties of [2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine?
[2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine has a molecular weight of 287.32 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine is sourced from PubChem (CID 81010948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).