[1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol

C14H21NO2 — CID 115243346

IUPAC[1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol
SMILESCCOc1ccc(N(C)CC2(CO)CC2)cc1
InChIInChI=1S/C14H21NO2/c1-3-17-13-6-4-12(5-7-13)15(2)10-14(11-16)8-9-14/h4-7,16H,3,8-11H2,1-2H3
InChIKeyUPZVTMJRSVBNSW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.29
Rot. Bonds6

About [1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol

[1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol (PubChem CID 115243346) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol
PubChem CID115243346
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol
SMILESCCOc1ccc(N(C)CC2(CO)CC2)cc1
InChIInChI=1S/C14H21NO2/c1-3-17-13-6-4-12(5-7-13)15(2)10-14(11-16)8-9-14/h4-7,16H,3,8-11H2,1-2H3
InChIKeyUPZVTMJRSVBNSW-UHFFFAOYSA-N
XLogP2.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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'}

Analyze [1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243547
[1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol
CID 115246801
[1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol
CID 115243738
[1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243332
[1-[(4-ethoxyphenyl)methyl]cyclopropyl]methanol
CID 116928851
[1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol
CID 115246834
[4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol
CID 137339136
4-ethoxy-N,N-dimethylaniline
CID 3624890
4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol
CID 115239811
methyl 2-(4-ethoxy-N-methylanilino)acetate
CID 115232761
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
2-[(4-ethoxy-N-methylanilino)methyl]-3-methylbutanoic acid
CID 115250265

Frequently Asked Questions

What is the IUPAC name of [1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol (CID 115243346) is [1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol is CCOc1ccc(N(C)CC2(CO)CC2)cc1.
What is the InChIKey of [1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol?
The InChIKey is UPZVTMJRSVBNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-17-13-6-4-12(5-7-13)15(2)10-14(11-16)8-9-14/h4-7,16H,3,8-11H2,1-2H3.
What are the key properties of [1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol?
[1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 2.29, 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-methylanilino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).