1-[(2-methoxyanilino)methyl]cyclobutan-1-ol

C12H17NO2 — CID 131701666

IUPAC1-[(2-methoxyanilino)methyl]cyclobutan-1-ol
SMILESCOc1ccccc1NCC1(O)CCC1
InChIInChI=1S/C12H17NO2/c1-15-11-6-3-2-5-10(11)13-9-12(14)7-4-8-12/h2-3,5-6,13-14H,4,7-9H2,1H3
InChIKeyKXQWLZHMUQMFEX-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.02
Rot. Bonds4

About 1-[(2-methoxyanilino)methyl]cyclobutan-1-ol

1-[(2-methoxyanilino)methyl]cyclobutan-1-ol (PubChem CID 131701666) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[(2-methoxyanilino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(2-methoxyanilino)methyl]cyclobutan-1-ol
PubChem CID131701666
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[(2-methoxyanilino)methyl]cyclobutan-1-ol
SMILESCOc1ccccc1NCC1(O)CCC1
InChIInChI=1S/C12H17NO2/c1-15-11-6-3-2-5-10(11)13-9-12(14)7-4-8-12/h2-3,5-6,13-14H,4,7-9H2,1H3
InChIKeyKXQWLZHMUQMFEX-UHFFFAOYSA-N
XLogP2.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethoxyanilino)methyl]cyclobutan-1-ol
CID 131701664
2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 65109213
1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65210681
N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
CID 115753878
2-(1-hydroxycyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 111331493
1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol
CID 115692774
1-[(2-ethylanilino)methyl]cyclohexan-1-ol
CID 60901849
1-[(5-chloro-2,4-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65210732
2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide
CID 113248973
1-[(3,4-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65211407
N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 20785776
1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 78994745

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyanilino)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(2-methoxyanilino)methyl]cyclobutan-1-ol (CID 131701666) is 1-[(2-methoxyanilino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(2-methoxyanilino)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(2-methoxyanilino)methyl]cyclobutan-1-ol is COc1ccccc1NCC1(O)CCC1.
What is the InChIKey of 1-[(2-methoxyanilino)methyl]cyclobutan-1-ol?
The InChIKey is KXQWLZHMUQMFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-11-6-3-2-5-10(11)13-9-12(14)7-4-8-12/h2-3,5-6,13-14H,4,7-9H2,1H3.
What are the key properties of 1-[(2-methoxyanilino)methyl]cyclobutan-1-ol?
1-[(2-methoxyanilino)methyl]cyclobutan-1-ol has a molecular weight of 207.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyanilino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 131701666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).