[1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol

C15H23NO2 — CID 115243464

IUPAC[1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol
SMILESCCOc1ccc(CNCC2(CO)CC2)cc1C
InChIInChI=1S/C15H23NO2/c1-3-18-14-5-4-13(8-12(14)2)9-16-10-15(11-17)6-7-15/h4-5,8,16-17H,3,6-7,9-11H2,1-2H3
InChIKeyCXBLCXPPZFMUPN-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.26
Rot. Bonds7

About [1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol

[1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 115243464) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol
PubChem CID115243464
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol
SMILESCCOc1ccc(CNCC2(CO)CC2)cc1C
InChIInChI=1S/C15H23NO2/c1-3-18-14-5-4-13(8-12(14)2)9-16-10-15(11-17)6-7-15/h4-5,8,16-17H,3,6-7,9-11H2,1-2H3
InChIKeyCXBLCXPPZFMUPN-UHFFFAOYSA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
[1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 111579392
1-amino-3-[(4-ethoxy-3-methylphenyl)methylamino]propan-2-ol
CID 115121371
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 106817015
1-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200606
3-N-[(4-ethoxy-3-methylphenyl)methyl]propane-1,2,3-triamine
CID 115119699
[1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 111579336
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 106817065
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine
CID 114757611
[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618
1-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256919

Frequently Asked Questions

What is the IUPAC name of [1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol (CID 115243464) is [1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol is CCOc1ccc(CNCC2(CO)CC2)cc1C.
What is the InChIKey of [1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is CXBLCXPPZFMUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-18-14-5-4-13(8-12(14)2)9-16-10-15(11-17)6-7-15/h4-5,8,16-17H,3,6-7,9-11H2,1-2H3.
What are the key properties of [1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).