N-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine

C16H26N2 — CID 79678083

IUPACN-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine
SMILESCCNC(C)c1cccc(N2CC(C(C)C)C2)c1
InChIInChI=1S/C16H26N2/c1-5-17-13(4)14-7-6-8-16(9-14)18-10-15(11-18)12(2)3/h6-9,12-13,15,17H,5,10-11H2,1-4H3
InChIKeyYDZPDRQFDVVYJU-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.45
Rot. Bonds5

About N-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine

N-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine (PubChem CID 79678083) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine
PubChem CID79678083
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine
SMILESCCNC(C)c1cccc(N2CC(C(C)C)C2)c1
InChIInChI=1S/C16H26N2/c1-5-17-13(4)14-7-6-8-16(9-14)18-10-15(11-18)12(2)3/h6-9,12-13,15,17H,5,10-11H2,1-4H3
InChIKeyYDZPDRQFDVVYJU-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine (CID 79678083) is N-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine is CCNC(C)c1cccc(N2CC(C(C)C)C2)c1.
What is the InChIKey of N-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine?
The InChIKey is YDZPDRQFDVVYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-17-13(4)14-7-6-8-16(9-14)18-10-15(11-18)12(2)3/h6-9,12-13,15,17H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine?
N-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 79678083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).