2-phenyl-N-(trifluoromethoxy)ethanamine;hydrochloride

C9H11ClF3NO — CID 87553489

IUPAC2-phenyl-N-(trifluoromethoxy)ethanamine;hydrochloride
SMILESCl.FC(F)(F)ONCCc1ccccc1
InChIInChI=1S/C9H10F3NO.ClH/c10-9(11,12)14-13-7-6-8-4-2-1-3-5-8;/h1-5,13H,6-7H2;1H
InChIKeyWIRNZHXCIKLSBO-UHFFFAOYSA-N
MW241.64 g/mol
LogP2.69
Rot. Bonds4

About 2-phenyl-N-(trifluoromethoxy)ethanamine;hydrochloride

2-phenyl-N-(trifluoromethoxy)ethanamine;hydrochloride (PubChem CID 87553489) has the molecular formula C9H11ClF3NO and a molecular weight of 241.64 g/mol. Its IUPAC name is 2-phenyl-N-(trifluoromethoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-phenyl-N-(trifluoromethoxy)ethanamine;hydrochloride
PubChem CID87553489
Molecular FormulaC9H11ClF3NO
Molecular Weight241.64 g/mol
Exact Mass241.05
IUPAC Name2-phenyl-N-(trifluoromethoxy)ethanamine;hydrochloride
SMILESCl.FC(F)(F)ONCCc1ccccc1
InChIInChI=1S/C9H10F3NO.ClH/c10-9(11,12)14-13-7-6-8-4-2-1-3-5-8;/h1-5,13H,6-7H2;1H
InChIKeyWIRNZHXCIKLSBO-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 60733353
2-phenyl-N-(1,2,2-trifluoroethoxy)ethanamine
CID 175501954
N-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride
CID 25094007
(2-phenylethylamino) methanesulfonate
CID 87093071
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
N-chloro-2-phenylethanamine
CID 18184165
N-alumanyl-2-phenylethanamine
CID 173457545
ethane;N-(2-phenylethyl)aniline
CID 91194556
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
benzene;2-phenylethylbenzene
CID 18982764
N-pentoxy-2-phenylethanamine
CID 57075178
N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 24754485

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(trifluoromethoxy)ethanamine;hydrochloride?
The IUPAC name of 2-phenyl-N-(trifluoromethoxy)ethanamine;hydrochloride (CID 87553489) is 2-phenyl-N-(trifluoromethoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-phenyl-N-(trifluoromethoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-phenyl-N-(trifluoromethoxy)ethanamine;hydrochloride is Cl.FC(F)(F)ONCCc1ccccc1.
What is the InChIKey of 2-phenyl-N-(trifluoromethoxy)ethanamine;hydrochloride?
The InChIKey is WIRNZHXCIKLSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO.ClH/c10-9(11,12)14-13-7-6-8-4-2-1-3-5-8;/h1-5,13H,6-7H2;1H.
What are the key properties of 2-phenyl-N-(trifluoromethoxy)ethanamine;hydrochloride?
2-phenyl-N-(trifluoromethoxy)ethanamine;hydrochloride has a molecular weight of 241.64 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(trifluoromethoxy)ethanamine;hydrochloride is sourced from PubChem (CID 87553489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).