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

C15H20F3NO — CID 81009543

IUPAC[2-[2-(trifluoromethoxy)phenyl]cycloheptyl]methanamine
SMILESNCC1CCCCCC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H20F3NO/c16-15(17,18)20-14-9-5-4-8-13(14)12-7-3-1-2-6-11(12)10-19/h4-5,8-9,11-12H,1-3,6-7,10,19H2
InChIKeyUUULTCYGLMKBKV-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.21
Rot. Bonds3

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

[2-[2-(trifluoromethoxy)phenyl]cycloheptyl]methanamine (PubChem CID 81009543) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is [2-[2-(trifluoromethoxy)phenyl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-[2-(trifluoromethoxy)phenyl]cycloheptyl]methanamine
PubChem CID81009543
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name[2-[2-(trifluoromethoxy)phenyl]cycloheptyl]methanamine
SMILESNCC1CCCCCC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H20F3NO/c16-15(17,18)20-14-9-5-4-8-13(14)12-7-3-1-2-6-11(12)10-19/h4-5,8-9,11-12H,1-3,6-7,10,19H2
InChIKeyUUULTCYGLMKBKV-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-(trifluoromethoxy)phenyl]cycloheptyl]methanamine
CID 81010948
[2-(2-fluoro-3-methoxyphenyl)cyclohexyl]methanamine
CID 82812472
[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 82782278
[2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine
CID 102709208
2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine
CID 173469072
1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 43150354
2-(cyclobutylmethyl)-1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine
CID 111819324
N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65384955
3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 64505049
2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 115850794
2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 114970289
(2R)-2-[2-(trifluoromethoxy)phenyl]oxirane
CID 83128862

Frequently Asked Questions

What is the IUPAC name of [2-[2-(trifluoromethoxy)phenyl]cycloheptyl]methanamine?
The IUPAC name of [2-[2-(trifluoromethoxy)phenyl]cycloheptyl]methanamine (CID 81009543) is [2-[2-(trifluoromethoxy)phenyl]cycloheptyl]methanamine.
What is the SMILES notation for [2-[2-(trifluoromethoxy)phenyl]cycloheptyl]methanamine?
The canonical SMILES for [2-[2-(trifluoromethoxy)phenyl]cycloheptyl]methanamine is NCC1CCCCCC1c1ccccc1OC(F)(F)F.
What is the InChIKey of [2-[2-(trifluoromethoxy)phenyl]cycloheptyl]methanamine?
The InChIKey is UUULTCYGLMKBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c16-15(17,18)20-14-9-5-4-8-13(14)12-7-3-1-2-6-11(12)10-19/h4-5,8-9,11-12H,1-3,6-7,10,19H2.
What are the key properties of [2-[2-(trifluoromethoxy)phenyl]cycloheptyl]methanamine?
[2-[2-(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-[2-(trifluoromethoxy)phenyl]cycloheptyl]methanamine is sourced from PubChem (CID 81009543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).