N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline

C16H18F3N — CID 43758490

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline
SMILESCC(Nc1cccc(C(F)(F)F)c1)C1CC2C=CC1C2
InChIInChI=1S/C16H18F3N/c1-10(15-8-11-5-6-12(15)7-11)20-14-4-2-3-13(9-14)16(17,18)19/h2-6,9-12,15,20H,7-8H2,1H3
InChIKeyMHKUWNKGSGARJO-UHFFFAOYSA-N
MW281.32 g/mol
LogP4.72
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline (PubChem CID 43758490) has the molecular formula C16H18F3N and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline
PubChem CID43758490
Molecular FormulaC16H18F3N
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline
SMILESCC(Nc1cccc(C(F)(F)F)c1)C1CC2C=CC1C2
InChIInChI=1S/C16H18F3N/c1-10(15-8-11-5-6-12(15)7-11)20-14-4-2-3-13(9-14)16(17,18)19/h2-6,9-12,15,20H,7-8H2,1H3
InChIKeyMHKUWNKGSGARJO-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-propan-2-ylaniline
CID 43768990
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline
CID 43762976
1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 2809373
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline
CID 43307549
6-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4H-1,4-benzoxazin-3-one
CID 43767741
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine
CID 43782750
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline
CID 64920498
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 43095809
N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63419352
N-[[4-(dimethylamino)phenyl]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphoryl]-3-(trifluoromethyl)aniline
CID 3770214
N-[(R)-dimethoxyphosphoryl-(4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 2067070
1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 43636390

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline (CID 43758490) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline is CC(Nc1cccc(C(F)(F)F)c1)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline?
The InChIKey is MHKUWNKGSGARJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N/c1-10(15-8-11-5-6-12(15)7-11)20-14-4-2-3-13(9-14)16(17,18)19/h2-6,9-12,15,20H,7-8H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline has a molecular weight of 281.32 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43758490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).