[1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol

C16H25NO2 — CID 115243653

IUPAC[1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol
SMILESCCc1cc(CCNCC2(CO)CC2)ccc1OC
InChIInChI=1S/C16H25NO2/c1-3-14-10-13(4-5-15(14)19-2)6-9-17-11-16(12-18)7-8-16/h4-5,10,17-18H,3,6-9,11-12H2,1-2H3
InChIKeyNWHKFQVYLYKSIQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.16
Rot. Bonds8

About [1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol

[1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol (PubChem CID 115243653) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol
PubChem CID115243653
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol
SMILESCCc1cc(CCNCC2(CO)CC2)ccc1OC
InChIInChI=1S/C16H25NO2/c1-3-14-10-13(4-5-15(14)19-2)6-9-17-11-16(12-18)7-8-16/h4-5,10,17-18H,3,6-9,11-12H2,1-2H3
InChIKeyNWHKFQVYLYKSIQ-UHFFFAOYSA-N
XLogP2.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]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-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242493
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine
CID 115244307
[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618
[3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol
CID 115248969
4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217777
2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244866
1-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242923
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide
CID 110788746
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
CID 94682821
[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
[3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249056
[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243621

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol (CID 115243653) is [1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol is CCc1cc(CCNCC2(CO)CC2)ccc1OC.
What is the InChIKey of [1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol?
The InChIKey is NWHKFQVYLYKSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-14-10-13(4-5-15(14)19-2)6-9-17-11-16(12-18)7-8-16/h4-5,10,17-18H,3,6-9,11-12H2,1-2H3.
What are the key properties of [1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol?
[1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).