1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine

C12H18N2O — CID 175916234

IUPAC1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine
SMILESCOc1ccccc1N1CC(N(C)C)C1
InChIInChI=1S/C12H18N2O/c1-13(2)10-8-14(9-10)11-6-4-5-7-12(11)15-3/h4-7,10H,8-9H2,1-3H3
InChIKeyHBARJVUSHWUUCW-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.45
Rot. Bonds3

About 1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine

1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine (PubChem CID 175916234) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine
PubChem CID175916234
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine
SMILESCOc1ccccc1N1CC(N(C)C)C1
InChIInChI=1S/C12H18N2O/c1-13(2)10-8-14(9-10)11-6-4-5-7-12(11)15-3/h4-7,10H,8-9H2,1-3H3
InChIKeyHBARJVUSHWUUCW-UHFFFAOYSA-N
XLogP1.45
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine
CID 159772789
3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 115004150
(3aR,6aS)-5-(2-methoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 71262063
[3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
CID 69184763
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-methoxybenzaldehyde
CID 58423243
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-azabicyclo[3.2.2]nonane
CID 57317137
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
4-(2-methoxyphenyl)morpholine-2,6-dione
CID 63779029
2-(2-methoxyphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79930320
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CID 83981947
1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine
CID 59648018

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine (CID 175916234) is 1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine is COc1ccccc1N1CC(N(C)C)C1.
What is the InChIKey of 1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine?
The InChIKey is HBARJVUSHWUUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-13(2)10-8-14(9-10)11-6-4-5-7-12(11)15-3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine?
1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine is sourced from PubChem (CID 175916234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).