[1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol

C15H23NO2 — CID 115243345

IUPAC[1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol
SMILESCOc1cc(C)c(N(C)CC2(CO)CC2)cc1C
InChIInChI=1S/C15H23NO2/c1-11-8-14(18-4)12(2)7-13(11)16(3)9-15(10-17)5-6-15/h7-8,17H,5-6,9-10H2,1-4H3
InChIKeyBSONUGLIMKQOLC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.52
Rot. Bonds5

About [1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol

[1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol (PubChem CID 115243345) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol
PubChem CID115243345
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol
SMILESCOc1cc(C)c(N(C)CC2(CO)CC2)cc1C
InChIInChI=1S/C15H23NO2/c1-11-8-14(18-4)12(2)7-13(11)16(3)9-15(10-17)5-6-15/h7-8,17H,5-6,9-10H2,1-4H3
InChIKeyBSONUGLIMKQOLC-UHFFFAOYSA-N
XLogP2.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.52
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

2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244616
2-(4-methoxy-N,2,5-trimethylanilino)ethanol
CID 115216098
[1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243357
[1-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropyl]methanol
CID 116928883
[1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol
CID 115243384
[1-[(N,2,4,6-tetramethylanilino)methyl]cyclopropyl]methanol
CID 115243342
2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol
CID 115120401
[1-[(3-bromo-4-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243340
2-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221393
[3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248903
[3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol
CID 115248930
5-(4-methoxy-N,2,5-trimethylanilino)pentan-2-one
CID 115236337

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol (CID 115243345) is [1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol is COc1cc(C)c(N(C)CC2(CO)CC2)cc1C.
What is the InChIKey of [1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol?
The InChIKey is BSONUGLIMKQOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-8-14(18-4)12(2)7-13(11)16(3)9-15(10-17)5-6-15/h7-8,17H,5-6,9-10H2,1-4H3.
What are the key properties of [1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol?
[1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.52, 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,2,5-trimethylanilino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).