N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine

C17H24F3N — CID 81032598

IUPACN-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H24F3N/c1-2-21-12-13-8-4-3-5-9-14(13)15-10-6-7-11-16(15)17(18,19)20/h6-7,10-11,13-14,21H,2-5,8-9,12H2,1H3
InChIKeyDEQCVQHZFVFHFT-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.98
Rot. Bonds4

About N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine

N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine (PubChem CID 81032598) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine
PubChem CID81032598
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC NameN-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H24F3N/c1-2-21-12-13-8-4-3-5-9-14(13)15-10-6-7-11-16(15)17(18,19)20/h6-7,10-11,13-14,21H,2-5,8-9,12H2,1H3
InChIKeyDEQCVQHZFVFHFT-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-naphthalen-1-ylcyclohexyl)methyl]ethanamine
CID 81028125
N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine
CID 81028151
N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine
CID 81025276
N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine
CID 107290780
N-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine
CID 81027466
trans-(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 94603912
N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide
CID 75399293
N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide
CID 97256128
N-[[2-(2-chlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 81026699
trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 94603915
N-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine
CID 81018227
N-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine
CID 104739444

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine (CID 81032598) is N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine is CCNCC1CCCCCC1c1ccccc1C(F)(F)F.
What is the InChIKey of N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine?
The InChIKey is DEQCVQHZFVFHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-2-21-12-13-8-4-3-5-9-14(13)15-10-6-7-11-16(15)17(18,19)20/h6-7,10-11,13-14,21H,2-5,8-9,12H2,1H3.
What are the key properties of N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine?
N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine has a molecular weight of 299.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 81032598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).