[1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol

C16H25NO2 — CID 115246834

IUPAC[1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol
SMILESCCOc1ccc(N(C)CC2(CO)CCC2)cc1C
InChIInChI=1S/C16H25NO2/c1-4-19-15-7-6-14(10-13(15)2)17(3)11-16(12-18)8-5-9-16/h6-7,10,18H,4-5,8-9,11-12H2,1-3H3
InChIKeyDNKCGRVNQCMCTD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds6

About [1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol

[1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol (PubChem CID 115246834) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol
PubChem CID115246834
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol
SMILESCCOc1ccc(N(C)CC2(CO)CCC2)cc1C
InChIInChI=1S/C16H25NO2/c1-4-19-15-7-6-14(10-13(15)2)17(3)11-16(12-18)8-5-9-16/h6-7,10,18H,4-5,8-9,11-12H2,1-3H3
InChIKeyDNKCGRVNQCMCTD-UHFFFAOYSA-N
XLogP2.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
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

[1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243346
[1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol
CID 115246801
[1-[(3-bromo-4-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243340
4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline
CID 115260617
4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257768
N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 115197781
[1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 115243464
N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246100
(4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921953
N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201808
N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166060
2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117890

Frequently Asked Questions

What is the IUPAC name of [1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol (CID 115246834) is [1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol is CCOc1ccc(N(C)CC2(CO)CCC2)cc1C.
What is the InChIKey of [1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol?
The InChIKey is DNKCGRVNQCMCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-19-15-7-6-14(10-13(15)2)17(3)11-16(12-18)8-5-9-16/h6-7,10,18H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of [1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol?
[1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol is sourced from PubChem (CID 115246834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).