N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine

C14H19F3N2 — CID 66183131

IUPACN-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine
SMILESCCN(C1CNC1)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2/c1-3-19(13-8-18-9-13)10(2)11-5-4-6-12(7-11)14(15,16)17/h4-7,10,13,18H,3,8-9H2,1-2H3
InChIKeyQHTROGNJMZVWSK-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.06
Rot. Bonds4

About N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine

N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine (PubChem CID 66183131) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine
PubChem CID66183131
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine
SMILESCCN(C1CNC1)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2/c1-3-19(13-8-18-9-13)10(2)11-5-4-6-12(7-11)14(15,16)17/h4-7,10,13,18H,3,8-9H2,1-2H3
InChIKeyQHTROGNJMZVWSK-UHFFFAOYSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
CID 63297008
N-ethyl-N-[1-(3-nitrophenyl)ethyl]azetidin-3-amine
CID 66182931
N-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine
CID 66181652
3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine
CID 172798523
N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 119329896
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 63301494
N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine
CID 63643987
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 55250096
N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 95571773
N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629
3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 99849482
N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119794790

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine?
The IUPAC name of N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine (CID 66183131) is N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine.
What is the SMILES notation for N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine?
The canonical SMILES for N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine is CCN(C1CNC1)C(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine?
The InChIKey is QHTROGNJMZVWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-3-19(13-8-18-9-13)10(2)11-5-4-6-12(7-11)14(15,16)17/h4-7,10,13,18H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine?
N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine has a molecular weight of 272.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine is sourced from PubChem (CID 66183131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).