1-phenylmethoxyazetidin-3-amine

C10H14N2O — CID 162036959

IUPAC1-phenylmethoxyazetidin-3-amine
SMILESNC1CN(OCc2ccccc2)C1
InChIInChI=1S/C10H14N2O/c11-10-6-12(7-10)13-8-9-4-2-1-3-5-9/h1-5,10H,6-8,11H2
InChIKeyYWTUBBACDALUNP-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.76
Rot. Bonds3

About 1-phenylmethoxyazetidin-3-amine

1-phenylmethoxyazetidin-3-amine (PubChem CID 162036959) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-phenylmethoxyazetidin-3-amine.

Molecular Properties

Compound Name1-phenylmethoxyazetidin-3-amine
PubChem CID162036959
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-phenylmethoxyazetidin-3-amine
SMILESNC1CN(OCc2ccccc2)C1
InChIInChI=1S/C10H14N2O/c11-10-6-12(7-10)13-8-9-4-2-1-3-5-9/h1-5,10H,6-8,11H2
InChIKeyYWTUBBACDALUNP-UHFFFAOYSA-N
XLogP0.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dibenzylpyrazolidin-4-amine
CID 20519767
4-tert-butyl-1-phenylmethoxypiperidine
CID 12722207
N,3-dimethyl-1-phenylmethoxypiperidin-4-amine
CID 130653478
(3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one
CID 131201426
cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
CID 86659751
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
cyclopropyl-(4-phenylmethoxypiperazin-1-yl)methanone
CID 118075267
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine
CID 65245145
4-(2-methylphenyl)-1-phenylmethoxypiperidine
CID 57061277
1-methyl-4-phenylmethoxypyrrolidin-3-amine
CID 126645177

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxyazetidin-3-amine?
The IUPAC name of 1-phenylmethoxyazetidin-3-amine (CID 162036959) is 1-phenylmethoxyazetidin-3-amine.
What is the SMILES notation for 1-phenylmethoxyazetidin-3-amine?
The canonical SMILES for 1-phenylmethoxyazetidin-3-amine is NC1CN(OCc2ccccc2)C1.
What is the InChIKey of 1-phenylmethoxyazetidin-3-amine?
The InChIKey is YWTUBBACDALUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-10-6-12(7-10)13-8-9-4-2-1-3-5-9/h1-5,10H,6-8,11H2.
What are the key properties of 1-phenylmethoxyazetidin-3-amine?
1-phenylmethoxyazetidin-3-amine has a molecular weight of 178.24 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxyazetidin-3-amine is sourced from PubChem (CID 162036959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).