[1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol

C14H21NO2 — CID 115246801

IUPAC[1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol
SMILESCOc1ccc(N(C)CC2(CO)CCC2)cc1
InChIInChI=1S/C14H21NO2/c1-15(10-14(11-16)8-3-9-14)12-4-6-13(17-2)7-5-12/h4-7,16H,3,8-11H2,1-2H3
InChIKeyMGPPPPFPTVZHIW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.29
Rot. Bonds5

About [1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol

[1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol (PubChem CID 115246801) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol
PubChem CID115246801
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol
SMILESCOc1ccc(N(C)CC2(CO)CCC2)cc1
InChIInChI=1S/C14H21NO2/c1-15(10-14(11-16)8-3-9-14)12-4-6-13(17-2)7-5-12/h4-7,16H,3,8-11H2,1-2H3
InChIKeyMGPPPPFPTVZHIW-UHFFFAOYSA-N
XLogP2.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline
CID 62261141
4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline
CID 55056003
[1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243346
[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62267034
[1-[(3-bromo-4-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243340
1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
CID 115183985
[1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243332
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylaniline
CID 115448798
3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
CID 62256771
[1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol
CID 115246838
[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol
CID 115248876
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline
CID 55051657

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol (CID 115246801) is [1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol is COc1ccc(N(C)CC2(CO)CCC2)cc1.
What is the InChIKey of [1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol?
The InChIKey is MGPPPPFPTVZHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15(10-14(11-16)8-3-9-14)12-4-6-13(17-2)7-5-12/h4-7,16H,3,8-11H2,1-2H3.
What are the key properties of [1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol?
[1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol is sourced from PubChem (CID 115246801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).