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

C15H23NO2 — CID 115243547

IUPAC[1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
SMILESCCOc1ccc(CN(C)CC2(CO)CC2)cc1
InChIInChI=1S/C15H23NO2/c1-3-18-14-6-4-13(5-7-14)10-16(2)11-15(12-17)8-9-15/h4-7,17H,3,8-12H2,1-2H3
InChIKeyFJJZFWAFQIRUMC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.29
Rot. Bonds7

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

[1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol (PubChem CID 115243547) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
PubChem CID115243547
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
SMILESCCOc1ccc(CN(C)CC2(CO)CC2)cc1
InChIInChI=1S/C15H23NO2/c1-3-18-14-6-4-13(5-7-14)10-16(2)11-15(12-17)8-9-15/h4-7,17H,3,8-12H2,1-2H3
InChIKeyFJJZFWAFQIRUMC-UHFFFAOYSA-N
XLogP2.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol
CID 115243738
[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62267034
[1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243346
[1-[[(4-ethoxy-3-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243556
[1-[(4-ethoxyphenyl)methyl]cyclopropyl]methanol
CID 116928851
[1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243516
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 95135578
1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
CID 62335072
[3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976506
[3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116930338
2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine
CID 65481122

Frequently Asked Questions

What is the IUPAC name of [1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol (CID 115243547) is [1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol is CCOc1ccc(CN(C)CC2(CO)CC2)cc1.
What is the InChIKey of [1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol?
The InChIKey is FJJZFWAFQIRUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-18-14-6-4-13(5-7-14)10-16(2)11-15(12-17)8-9-15/h4-7,17H,3,8-12H2,1-2H3.
What are the key properties of [1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol?
[1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).