2-[(2-aminoethylamino)methyl]-5-methoxyphenol

C10H16N2O2 — CID 61261958

IUPAC2-[(2-aminoethylamino)methyl]-5-methoxyphenol
SMILESCOc1ccc(CNCCN)c(O)c1
InChIInChI=1S/C10H16N2O2/c1-14-9-3-2-8(10(13)6-9)7-12-5-4-11/h2-3,6,12-13H,4-5,7,11H2,1H3
InChIKeyUPIQVKHXZGECNK-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.45
Rot. Bonds5

About 2-[(2-aminoethylamino)methyl]-5-methoxyphenol

2-[(2-aminoethylamino)methyl]-5-methoxyphenol (PubChem CID 61261958) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[(2-aminoethylamino)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(2-aminoethylamino)methyl]-5-methoxyphenol
PubChem CID61261958
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-[(2-aminoethylamino)methyl]-5-methoxyphenol
SMILESCOc1ccc(CNCCN)c(O)c1
InChIInChI=1S/C10H16N2O2/c1-14-9-3-2-8(10(13)6-9)7-12-5-4-11/h2-3,6,12-13H,4-5,7,11H2,1H3
InChIKeyUPIQVKHXZGECNK-UHFFFAOYSA-N
XLogP0.45
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(4-hydroxybutylamino)methyl]-5-methoxyphenol
CID 106840604
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
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-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol
CID 115639474
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 61262143
2-(aminomethyl)-5-methoxyphenol;ethane
CID 154662698
2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol
CID 61263621
2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide
CID 106171414

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoethylamino)methyl]-5-methoxyphenol?
The IUPAC name of 2-[(2-aminoethylamino)methyl]-5-methoxyphenol (CID 61261958) is 2-[(2-aminoethylamino)methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(2-aminoethylamino)methyl]-5-methoxyphenol?
The canonical SMILES for 2-[(2-aminoethylamino)methyl]-5-methoxyphenol is COc1ccc(CNCCN)c(O)c1.
What is the InChIKey of 2-[(2-aminoethylamino)methyl]-5-methoxyphenol?
The InChIKey is UPIQVKHXZGECNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-14-9-3-2-8(10(13)6-9)7-12-5-4-11/h2-3,6,12-13H,4-5,7,11H2,1H3.
What are the key properties of 2-[(2-aminoethylamino)methyl]-5-methoxyphenol?
2-[(2-aminoethylamino)methyl]-5-methoxyphenol has a molecular weight of 196.25 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoethylamino)methyl]-5-methoxyphenol is sourced from PubChem (CID 61261958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).