2-[(2-methylpropylamino)methyl]-5-propoxyphenol

C14H23NO2 — CID 55147776

IUPAC2-[(2-methylpropylamino)methyl]-5-propoxyphenol
SMILESCCCOc1ccc(CNCC(C)C)c(O)c1
InChIInChI=1S/C14H23NO2/c1-4-7-17-13-6-5-12(14(16)8-13)10-15-9-11(2)3/h5-6,8,11,15-16H,4,7,9-10H2,1-3H3
InChIKeyXTFBEUVMBJDNPH-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.93
Rot. Bonds7

About 2-[(2-methylpropylamino)methyl]-5-propoxyphenol

2-[(2-methylpropylamino)methyl]-5-propoxyphenol (PubChem CID 55147776) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[(2-methylpropylamino)methyl]-5-propoxyphenol.

Molecular Properties

Compound Name2-[(2-methylpropylamino)methyl]-5-propoxyphenol
PubChem CID55147776
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[(2-methylpropylamino)methyl]-5-propoxyphenol
SMILESCCCOc1ccc(CNCC(C)C)c(O)c1
InChIInChI=1S/C14H23NO2/c1-4-7-17-13-6-5-12(14(16)8-13)10-15-9-11(2)3/h5-6,8,11,15-16H,4,7,9-10H2,1-3H3
InChIKeyXTFBEUVMBJDNPH-UHFFFAOYSA-N
XLogP2.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.93
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

1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol
CID 63063515
N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65365461
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
2-[(2-ethoxypropylamino)methyl]-5-methoxyphenol
CID 115655741
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131
1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol
CID 60887844
2-methyl-N-[[5-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79490650
N-[[2-(2-propan-2-yloxyethoxy)-4-propoxyphenyl]methyl]ethanamine
CID 61485072
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol
CID 82956879
N-[[2-bromo-5-(4-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 83156936
4-[(2-methoxypropylamino)methyl]benzene-1,3-diol
CID 102696377

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropylamino)methyl]-5-propoxyphenol?
The IUPAC name of 2-[(2-methylpropylamino)methyl]-5-propoxyphenol (CID 55147776) is 2-[(2-methylpropylamino)methyl]-5-propoxyphenol.
What is the SMILES notation for 2-[(2-methylpropylamino)methyl]-5-propoxyphenol?
The canonical SMILES for 2-[(2-methylpropylamino)methyl]-5-propoxyphenol is CCCOc1ccc(CNCC(C)C)c(O)c1.
What is the InChIKey of 2-[(2-methylpropylamino)methyl]-5-propoxyphenol?
The InChIKey is XTFBEUVMBJDNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-7-17-13-6-5-12(14(16)8-13)10-15-9-11(2)3/h5-6,8,11,15-16H,4,7,9-10H2,1-3H3.
What are the key properties of 2-[(2-methylpropylamino)methyl]-5-propoxyphenol?
2-[(2-methylpropylamino)methyl]-5-propoxyphenol has a molecular weight of 237.34 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropylamino)methyl]-5-propoxyphenol is sourced from PubChem (CID 55147776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).