2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol

C14H21NO — CID 115656460

IUPAC2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol
SMILESCc1cc(O)c(CNCCC2CC2)cc1C
InChIInChI=1S/C14H21NO/c1-10-7-13(14(16)8-11(10)2)9-15-6-5-12-3-4-12/h7-8,12,15-16H,3-6,9H2,1-2H3
InChIKeyUJMBHQRQFBJYLD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.90
Rot. Bonds5

About 2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol

2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol (PubChem CID 115656460) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol.

Molecular Properties

Compound Name2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol
PubChem CID115656460
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol
SMILESCc1cc(O)c(CNCCC2CC2)cc1C
InChIInChI=1S/C14H21NO/c1-10-7-13(14(16)8-11(10)2)9-15-6-5-12-3-4-12/h7-8,12,15-16H,3-6,9H2,1-2H3
InChIKeyUJMBHQRQFBJYLD-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-cyclopentylethylamino)methyl]-4-methylphenol
CID 63324647
4,5-dimethyl-2-[(2-methylsulfinylethylamino)methyl]phenol
CID 115654121
4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol
CID 107694453
4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol
CID 115614980
2-[(2-cyclobutylethylamino)methyl]-6-methylphenol
CID 115908380
2-[(2-cyclopentylethylamino)methyl]-6-methylphenol
CID 112554008
2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol
CID 115639474
4-bromo-2-[(3-cyclopropylpropylamino)methyl]phenol
CID 115639531
2-[[[4-(aminomethyl)cyclohexyl]methylamino]methyl]-5-methylphenol
CID 71213393
2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 113263535
2-[[(3-hydroxy-2-methylpropyl)amino]methyl]-4,5-dimethylphenol
CID 111466490
4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 103948092

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol?
The IUPAC name of 2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol (CID 115656460) is 2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol.
What is the SMILES notation for 2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol?
The canonical SMILES for 2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol is Cc1cc(O)c(CNCCC2CC2)cc1C.
What is the InChIKey of 2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol?
The InChIKey is UJMBHQRQFBJYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-7-13(14(16)8-11(10)2)9-15-6-5-12-3-4-12/h7-8,12,15-16H,3-6,9H2,1-2H3.
What are the key properties of 2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol?
2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol has a molecular weight of 219.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol is sourced from PubChem (CID 115656460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).