[1-[(2-amino-4-ethylphenoxy)methyl]cyclopropyl]methanol

C13H19NO2 — CID 123554837

IUPAC[1-[(2-amino-4-ethylphenoxy)methyl]cyclopropyl]methanol
SMILESCCc1ccc(OCC2(CO)CC2)c(N)c1
InChIInChI=1S/C13H19NO2/c1-2-10-3-4-12(11(14)7-10)16-9-13(8-15)5-6-13/h3-4,7,15H,2,5-6,8-9,14H2,1H3
InChIKeyWKTMFQHMLDSNMC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.98
Rot. Bonds5

About [1-[(2-amino-4-ethylphenoxy)methyl]cyclopropyl]methanol

[1-[(2-amino-4-ethylphenoxy)methyl]cyclopropyl]methanol (PubChem CID 123554837) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [1-[(2-amino-4-ethylphenoxy)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2-amino-4-ethylphenoxy)methyl]cyclopropyl]methanol
PubChem CID123554837
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[1-[(2-amino-4-ethylphenoxy)methyl]cyclopropyl]methanol
SMILESCCc1ccc(OCC2(CO)CC2)c(N)c1
InChIInChI=1S/C13H19NO2/c1-2-10-3-4-12(11(14)7-10)16-9-13(8-15)5-6-13/h3-4,7,15H,2,5-6,8-9,14H2,1H3
InChIKeyWKTMFQHMLDSNMC-UHFFFAOYSA-N
XLogP1.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-(2-methoxyethoxy)aniline
CID 54853265
5-ethyl-2-(3-methylbutoxy)aniline
CID 54853197
[1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243357
[1-[(4-ethylphenyl)methyl]cyclopropyl]methanol
CID 66025212
5-ethyl-2-trimethylsilyloxyaniline
CID 167734145
3-amino-4-[[1-(aminomethyl)cyclobutyl]methoxy]benzoic acid
CID 117095851
2-butan-2-yloxy-5-ethylaniline
CID 54853195
2-[(4-ethylphenyl)methoxy]-5-fluoroaniline
CID 62368174
2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65495663
4-(bromomethyl)-4-[(4-ethyl-2-nitrophenoxy)methyl]oxane
CID 65004590
5-ethyl-2-(5-fluoropyrimidin-2-yl)oxyaniline
CID 113432123
1-(3-amino-4-ethoxyphenyl)propan-2-one
CID 54371004

Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-4-ethylphenoxy)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(2-amino-4-ethylphenoxy)methyl]cyclopropyl]methanol (CID 123554837) is [1-[(2-amino-4-ethylphenoxy)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2-amino-4-ethylphenoxy)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(2-amino-4-ethylphenoxy)methyl]cyclopropyl]methanol is CCc1ccc(OCC2(CO)CC2)c(N)c1.
What is the InChIKey of [1-[(2-amino-4-ethylphenoxy)methyl]cyclopropyl]methanol?
The InChIKey is WKTMFQHMLDSNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-10-3-4-12(11(14)7-10)16-9-13(8-15)5-6-13/h3-4,7,15H,2,5-6,8-9,14H2,1H3.
What are the key properties of [1-[(2-amino-4-ethylphenoxy)methyl]cyclopropyl]methanol?
[1-[(2-amino-4-ethylphenoxy)methyl]cyclopropyl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-4-ethylphenoxy)methyl]cyclopropyl]methanol is sourced from PubChem (CID 123554837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).