1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine

C16H26N2 — CID 79678198

IUPAC1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine
SMILESCCC1(CC)CN(c2ccccc2C(C)NC)C1
InChIInChI=1S/C16H26N2/c1-5-16(6-2)11-18(12-16)15-10-8-7-9-14(15)13(3)17-4/h7-10,13,17H,5-6,11-12H2,1-4H3
InChIKeyUURHQRCBADUOPP-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.59
Rot. Bonds5

About 1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine

1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine (PubChem CID 79678198) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine
PubChem CID79678198
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine
SMILESCCC1(CC)CN(c2ccccc2C(C)NC)C1
InChIInChI=1S/C16H26N2/c1-5-16(6-2)11-18(12-16)15-10-8-7-9-14(15)13(3)17-4/h7-10,13,17H,5-6,11-12H2,1-4H3
InChIKeyUURHQRCBADUOPP-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 63158539
1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 62936574
1-[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]ethanol
CID 106836301
N-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine
CID 79678434
[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 43284506
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
CID 115995201
1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine
CID 79677107
N-[1-[2-(3,3-dimethoxyazetidin-1-yl)phenyl]ethyl]propan-1-amine
CID 79678785
N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 62994127
1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine
CID 63534160
1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine
CID 61432642
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol
CID 55166791

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine (CID 79678198) is 1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine is CCC1(CC)CN(c2ccccc2C(C)NC)C1.
What is the InChIKey of 1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine?
The InChIKey is UURHQRCBADUOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-16(6-2)11-18(12-16)15-10-8-7-9-14(15)13(3)17-4/h7-10,13,17H,5-6,11-12H2,1-4H3.
What are the key properties of 1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine?
1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 79678198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).