2,2,2-trifluoro-N,N-dimethyl-1-phenylethanamine

C10H12F3N — CID 102415814

IUPAC2,2,2-trifluoro-N,N-dimethyl-1-phenylethanamine
SMILESCN(C)C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12F3N/c1-14(2)9(10(11,12)13)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyCRNICEVLDIZHAP-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.85
Rot. Bonds2

About 2,2,2-trifluoro-N,N-dimethyl-1-phenylethanamine

2,2,2-trifluoro-N,N-dimethyl-1-phenylethanamine (PubChem CID 102415814) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-dimethyl-1-phenylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N-dimethyl-1-phenylethanamine
PubChem CID102415814
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2,2,2-trifluoro-N,N-dimethyl-1-phenylethanamine
SMILESCN(C)C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12F3N/c1-14(2)9(10(11,12)13)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyCRNICEVLDIZHAP-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,2-trifluoro-N,N-dimethyl-1-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzalkonium Chloride
CID 3014024
Benzododecinium Chloride
CID 8753
Pargyline
CID 4688
Benzylhexadecyldimethylammonium chloride
CID 31202
Benzphetamine
CID 5311017
N-Methylbenzylamine
CID 7669
Benzyldimethylstearylammonium chloride
CID 31204
Benzyltrimethylammonium chloride
CID 5963
Benzyldimethyltetradecylammonium chloride
CID 8755
N,N-Dimethylphenylethylamine
CID 25125
N,N-Dimethylbenzylamine
CID 7681
Pargyline Hydrochloride
CID 9373

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N,N-dimethyl-1-phenylethanamine?
The IUPAC name of 2,2,2-trifluoro-N,N-dimethyl-1-phenylethanamine (CID 102415814) is 2,2,2-trifluoro-N,N-dimethyl-1-phenylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N,N-dimethyl-1-phenylethanamine?
The canonical SMILES for 2,2,2-trifluoro-N,N-dimethyl-1-phenylethanamine is CN(C)C(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N,N-dimethyl-1-phenylethanamine?
The InChIKey is CRNICEVLDIZHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-14(2)9(10(11,12)13)8-6-4-3-5-7-8/h3-7,9H,1-2H3.
What are the key properties of 2,2,2-trifluoro-N,N-dimethyl-1-phenylethanamine?
2,2,2-trifluoro-N,N-dimethyl-1-phenylethanamine has a molecular weight of 203.21 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N,N-dimethyl-1-phenylethanamine is sourced from PubChem (CID 102415814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).