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

C14H19NO — CID 117112884

IUPAC1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine
SMILESCOC1(c2ccccc2C2(N)CCC2)CC1
InChIInChI=1S/C14H19NO/c1-16-14(9-10-14)12-6-3-2-5-11(12)13(15)7-4-8-13/h2-3,5-6H,4,7-10,15H2,1H3
InChIKeyDCLYOXOQZPRDTE-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.66
Rot. Bonds3

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

1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine (PubChem CID 117112884) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine
PubChem CID117112884
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine
SMILESCOC1(c2ccccc2C2(N)CCC2)CC1
InChIInChI=1S/C14H19NO/c1-16-14(9-10-14)12-6-3-2-5-11(12)13(15)7-4-8-13/h2-3,5-6H,4,7-10,15H2,1H3
InChIKeyDCLYOXOQZPRDTE-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine
CID 117118334
1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine
CID 117112865
[2-(1-methoxycyclopropyl)phenyl]methanamine
CID 115014939
1-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 104659085
1-(2,3-dimethylphenyl)cyclobutan-1-amine
CID 83683088
1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine
CID 117112740
ethane;1-(1-methoxycyclopentyl)naphthalene
CID 91502072
1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine
CID 117112388
3-(1-aminocyclobutyl)-2-methylphenol
CID 117277633
1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine
CID 117112781
2-amino-2-[2-(1-methoxycyclopropyl)phenyl]acetic acid
CID 117115056
2-[2-(1-methoxycyclopropyl)phenyl]acetonitrile
CID 115110930

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine (CID 117112884) is 1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine is COC1(c2ccccc2C2(N)CCC2)CC1.
What is the InChIKey of 1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine?
The InChIKey is DCLYOXOQZPRDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-14(9-10-14)12-6-3-2-5-11(12)13(15)7-4-8-13/h2-3,5-6H,4,7-10,15H2,1H3.
What are the key properties of 1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine?
1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117112884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).