1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine

C13H19NO — CID 117112865

IUPAC1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine
SMILESCOC(C)c1ccccc1C1(N)CCC1
InChIInChI=1S/C13H19NO/c1-10(15-2)11-6-3-4-7-12(11)13(14)8-5-9-13/h3-4,6-7,10H,5,8-9,14H2,1-2H3
InChIKeyYGOOQXZIPDUXPJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.73
Rot. Bonds3

About 1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine

1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine (PubChem CID 117112865) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine
PubChem CID117112865
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine
SMILESCOC(C)c1ccccc1C1(N)CCC1
InChIInChI=1S/C13H19NO/c1-10(15-2)11-6-3-4-7-12(11)13(14)8-5-9-13/h3-4,6-7,10H,5,8-9,14H2,1-2H3
InChIKeyYGOOQXZIPDUXPJ-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine
CID 117112740
1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine
CID 117112884
1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine
CID 117323795
1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
CID 129033013
1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine
CID 117296596
1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol
CID 117316621
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine
CID 117320262
CID 174469146
CID 174469146
2-[2-(1-methoxyethyl)phenyl]propan-1-amine
CID 115113156
1-(2,3-dimethylphenyl)cyclobutan-1-amine
CID 83683088
1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086371
1-[3-chloro-2-(1-fluoroethyl)phenyl]cyclobutan-1-amine
CID 117327875

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine (CID 117112865) is 1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine is COC(C)c1ccccc1C1(N)CCC1.
What is the InChIKey of 1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine?
The InChIKey is YGOOQXZIPDUXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(15-2)11-6-3-4-7-12(11)13(14)8-5-9-13/h3-4,6-7,10H,5,8-9,14H2,1-2H3.
What are the key properties of 1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine?
1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117112865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).