N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine

C16H20F3N — CID 115853839

IUPACN-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccccc1C(F)(F)F)C1CC2CC2C1
InChIInChI=1S/C16H20F3N/c1-2-20-15(12-8-10-7-11(10)9-12)13-5-3-4-6-14(13)16(17,18)19/h3-6,10-12,15,20H,2,7-9H2,1H3
InChIKeyIBDUVZZNKXMZLG-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.40
Rot. Bonds4

About N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine

N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 115853839) has the molecular formula C16H20F3N and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID115853839
Molecular FormulaC16H20F3N
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC NameN-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccccc1C(F)(F)F)C1CC2CC2C1
InChIInChI=1S/C16H20F3N/c1-2-20-15(12-8-10-7-11(10)9-12)13-5-3-4-6-14(13)16(17,18)19/h3-6,10-12,15,20H,2,7-9H2,1H3
InChIKeyIBDUVZZNKXMZLG-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 64986342
N-[3-bicyclo[3.1.0]hexanyl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102758303
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 64986702
N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035798
N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63413337
N-[3-bicyclo[3.1.0]hexanyl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115850632
N-[oxan-4-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65334774
N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine
CID 115778732
N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65420429
N-[(3-bromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80536090
1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 65411611
N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
CID 63561717

Frequently Asked Questions

What is the IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 115853839) is N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(c1ccccc1C(F)(F)F)C1CC2CC2C1.
What is the InChIKey of N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is IBDUVZZNKXMZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N/c1-2-20-15(12-8-10-7-11(10)9-12)13-5-3-4-6-14(13)16(17,18)19/h3-6,10-12,15,20H,2,7-9H2,1H3.
What are the key properties of N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 283.34 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 115853839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).