N-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine

C12H16F3N — CID 154197554

IUPACN-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine
SMILESCCN(C(C)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H16F3N/c1-3-16(12(13,14)15)10(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyJUWGVAATKBOASI-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.46
Rot. Bonds4

About N-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine

N-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine (PubChem CID 154197554) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is N-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine
PubChem CID154197554
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine
SMILESCCN(C(C)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H16F3N/c1-3-16(12(13,14)15)10(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyJUWGVAATKBOASI-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1-phenylpropan-2-amine
CID 521361
N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine
CID 101465412
2-(trifluoromethylsulfanyl)propylbenzene
CID 102526857
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188
(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine
CID 87517815
(2R)-N-bromo-N-chloro-1-phenylpropan-2-amine
CID 90999480
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
N-bromo-N-chloro-1-phenylpropan-2-amine
CID 143939583
[(2R)-4,4,4-trifluoro-2-methylbutyl]benzene
CID 173350029
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine
CID 59895630
tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid
CID 66990689

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine?
The IUPAC name of N-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine (CID 154197554) is N-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine?
The canonical SMILES for N-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine is CCN(C(C)Cc1ccccc1)C(F)(F)F.
What is the InChIKey of N-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine?
The InChIKey is JUWGVAATKBOASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-3-16(12(13,14)15)10(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of N-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine?
N-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine has a molecular weight of 231.26 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine is sourced from PubChem (CID 154197554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).