1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine

C15H24N2 — CID 79677506

IUPAC1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1N1CC(C(C)(C)C)C1
InChIInChI=1S/C15H24N2/c1-15(2,3)13-10-17(11-13)14-8-6-5-7-12(14)9-16-4/h5-8,13,16H,9-11H2,1-4H3
InChIKeyXYRGVNBIKUMQFZ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.89
Rot. Bonds3

About 1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine

1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine (PubChem CID 79677506) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine
PubChem CID79677506
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1N1CC(C(C)(C)C)C1
InChIInChI=1S/C15H24N2/c1-15(2,3)13-10-17(11-13)14-8-6-5-7-12(14)9-16-4/h5-8,13,16H,9-11H2,1-4H3
InChIKeyXYRGVNBIKUMQFZ-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine
CID 79678809
N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine
CID 55159520
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)phenyl]-N-methylmethanamine
CID 43620591
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]-N-methylmethanamine
CID 63150727
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine
CID 79935349
N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine
CID 43585498
1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol
CID 102960800
N-methyl-1-[2-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 62267365
N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058978
2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 63059247
2-[2-(methylaminomethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103980065
1-[2-(methylaminomethyl)phenyl]azepane-2,7-dione
CID 61350563

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine (CID 79677506) is 1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine is CNCc1ccccc1N1CC(C(C)(C)C)C1.
What is the InChIKey of 1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is XYRGVNBIKUMQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2,3)13-10-17(11-13)14-8-6-5-7-12(14)9-16-4/h5-8,13,16H,9-11H2,1-4H3.
What are the key properties of 1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine?
1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 79677506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).