N-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine

C18H22N2 — CID 79678434

IUPACN-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine
SMILESCNC(C)c1ccccc1N1CC(c2ccccc2)C1
InChIInChI=1S/C18H22N2/c1-14(19-2)17-10-6-7-11-18(17)20-12-16(13-20)15-8-4-3-5-9-15/h3-11,14,16,19H,12-13H2,1-2H3
InChIKeyZQMGNPXITLORFU-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.57
Rot. Bonds4

About N-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine

N-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine (PubChem CID 79678434) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine
PubChem CID79678434
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine
SMILESCNC(C)c1ccccc1N1CC(c2ccccc2)C1
InChIInChI=1S/C18H22N2/c1-14(19-2)17-10-6-7-11-18(17)20-12-16(13-20)15-8-4-3-5-9-15/h3-11,14,16,19H,12-13H2,1-2H3
InChIKeyZQMGNPXITLORFU-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 62936574
N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 62994127
1-[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]ethanol
CID 106836301
1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine
CID 79678198
[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 43284506
N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine
CID 79678667
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 63158539
N-methyl-1-[2-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 60974257
3-phenyl-1-propan-2-ylazetidine
CID 23628
N-methyl-1-[5-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]ethanamine
CID 83109568
8-[2-[1-(methylamino)ethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63762238
N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine
CID 63778753

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine (CID 79678434) is N-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine is CNC(C)c1ccccc1N1CC(c2ccccc2)C1.
What is the InChIKey of N-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine?
The InChIKey is ZQMGNPXITLORFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14(19-2)17-10-6-7-11-18(17)20-12-16(13-20)15-8-4-3-5-9-15/h3-11,14,16,19H,12-13H2,1-2H3.
What are the key properties of N-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine?
N-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 79678434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).