1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine

C18H22N2 — CID 155208326

IUPAC1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine
SMILESCNCC1CC(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C18H22N2/c1-19-13-17-12-18(16-10-6-3-7-11-16)20(17)14-15-8-4-2-5-9-15/h2-11,17-19H,12-14H2,1H3
InChIKeyCYTQWBQEBVIUSR-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.22
Rot. Bonds5

About 1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine

1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine (PubChem CID 155208326) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine
PubChem CID155208326
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine
SMILESCNCC1CC(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C18H22N2/c1-19-13-17-12-18(16-10-6-3-7-11-16)20(17)14-15-8-4-2-5-9-15/h2-11,17-19H,12-14H2,1H3
InChIKeyCYTQWBQEBVIUSR-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine
CID 10039279
3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine
CID 155208156
(2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine
CID 140974143
8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 154275315
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
(3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one
CID 102276897
(2R,4R)-1-benzyl-4-tert-butyl-2-(chloromethyl)pyrrolidine
CID 15503448
(2S,3S,4S)-1-benzyl-2-(chloromethyl)-4-methyl-3-phenylazetidine
CID 53344124
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
dimethyl (2S,4R)-1-benzylazetidine-2,4-dicarboxylate
CID 14654381
1-benzyl-2,7-bis(chloromethyl)azepane;hydrochloride
CID 11971663

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine (CID 155208326) is 1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine is CNCC1CC(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine?
The InChIKey is CYTQWBQEBVIUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-19-13-17-12-18(16-10-6-3-7-11-16)20(17)14-15-8-4-2-5-9-15/h2-11,17-19H,12-14H2,1H3.
What are the key properties of 1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine?
1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine has a molecular weight of 266.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 155208326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).