2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol

C15H21NO2 — CID 113341265

IUPAC2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNC2CCOC2C2CC2)c1
InChIInChI=1S/C15H21NO2/c1-10-2-5-14(17)12(8-10)9-16-13-6-7-18-15(13)11-3-4-11/h2,5,8,11,13,15-17H,3-4,6-7,9H2,1H3
InChIKeyPWFQNVAPYKHMRD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.36
Rot. Bonds4

About 2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol

2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol (PubChem CID 113341265) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol
PubChem CID113341265
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNC2CCOC2C2CC2)c1
InChIInChI=1S/C15H21NO2/c1-10-2-5-14(17)12(8-10)9-16-13-6-7-18-15(13)11-3-4-11/h2,5,8,11,13,15-17H,3-4,6-7,9H2,1H3
InChIKeyPWFQNVAPYKHMRD-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
CID 103864542
4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol
CID 114095624
4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 113240107
4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol
CID 82726060
2-cyclopropyl-N-[(2-fluorophenyl)methyl]oxolan-3-amine
CID 103864475
N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103880746
2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 103864495
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864559
4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 55205702
2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 103923929
N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580798
N-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864566

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol?
The IUPAC name of 2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol (CID 113341265) is 2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol is Cc1ccc(O)c(CNC2CCOC2C2CC2)c1.
What is the InChIKey of 2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol?
The InChIKey is PWFQNVAPYKHMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-2-5-14(17)12(8-10)9-16-13-6-7-18-15(13)11-3-4-11/h2,5,8,11,13,15-17H,3-4,6-7,9H2,1H3.
What are the key properties of 2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol?
2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol has a molecular weight of 247.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol is sourced from PubChem (CID 113341265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).