2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol

C14H21NO2 — CID 115639474

IUPAC2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol
SMILESCOc1ccc(CNCCCC2CC2)c(O)c1
InChIInChI=1S/C14H21NO2/c1-17-13-7-6-12(14(16)9-13)10-15-8-2-3-11-4-5-11/h6-7,9,11,15-16H,2-5,8,10H2,1H3
InChIKeyXSQIFOOMVPUJCT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.68
Rot. Bonds7

About 2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol

2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol (PubChem CID 115639474) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol
PubChem CID115639474
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol
SMILESCOc1ccc(CNCCCC2CC2)c(O)c1
InChIInChI=1S/C14H21NO2/c1-17-13-7-6-12(14(16)9-13)10-15-8-2-3-11-4-5-11/h6-7,9,11,15-16H,2-5,8,10H2,1H3
InChIKeyXSQIFOOMVPUJCT-UHFFFAOYSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
2-[(4-hydroxybutylamino)methyl]-5-methoxyphenol
CID 106840604
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
5-methoxy-2-[(4-methylpentylamino)methyl]phenol
CID 61263266
2-[(4-hydroxypentylamino)methyl]-5-methoxyphenol
CID 107267668
5-methoxy-2-[(3-methylsulfonylpropylamino)methyl]phenol
CID 61262890
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol
CID 63298601
2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline
CID 115414217
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747
2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
4-bromo-2-[(3-cyclopropylpropylamino)methyl]phenol
CID 115639531

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol?
The IUPAC name of 2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol (CID 115639474) is 2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol?
The canonical SMILES for 2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol is COc1ccc(CNCCCC2CC2)c(O)c1.
What is the InChIKey of 2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol?
The InChIKey is XSQIFOOMVPUJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-13-7-6-12(14(16)9-13)10-15-8-2-3-11-4-5-11/h6-7,9,11,15-16H,2-5,8,10H2,1H3.
What are the key properties of 2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol?
2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol has a molecular weight of 235.33 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol is sourced from PubChem (CID 115639474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).