[1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol

C16H25NO2 — CID 115243738

IUPAC[1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol
SMILESCCOc1ccc(CCN(C)CC2(CO)CC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-19-15-6-4-14(5-7-15)8-11-17(2)12-16(13-18)9-10-16/h4-7,18H,3,8-13H2,1-2H3
InChIKeyISTKSVWYOVCIQF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.33
Rot. Bonds8

About [1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol

[1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol (PubChem CID 115243738) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol
PubChem CID115243738
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol
SMILESCCOc1ccc(CCN(C)CC2(CO)CC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-19-15-6-4-14(5-7-15)8-11-17(2)12-16(13-18)9-10-16/h4-7,18H,3,8-13H2,1-2H3
InChIKeyISTKSVWYOVCIQF-UHFFFAOYSA-N
XLogP2.33
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243547
[1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243346
[1-[(4-ethoxyphenyl)methyl]cyclopropyl]methanol
CID 116928851
2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261268
[1-[[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol
CID 115243735
N-[2-(4-ethoxyphenyl)ethyl]-N-methylpentan-1-amine
CID 173290456
[1-[[(4-ethoxy-3-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243556
3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120101
1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222522
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine
CID 115245958
[3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116930338
[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62267034

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol (CID 115243738) is [1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol is CCOc1ccc(CCN(C)CC2(CO)CC2)cc1.
What is the InChIKey of [1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol?
The InChIKey is ISTKSVWYOVCIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-19-15-6-4-14(5-7-15)8-11-17(2)12-16(13-18)9-10-16/h4-7,18H,3,8-13H2,1-2H3.
What are the key properties of [1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol?
[1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).