2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol

C13H22N2O2 — CID 115318691

IUPAC2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)N(C)CCCN)c1
InChIInChI=1S/C13H22N2O2/c1-10(15(2)8-4-7-14)12-9-11(17-3)5-6-13(12)16/h5-6,9-10,16H,4,7-8,14H2,1-3H3
InChIKeyHGEJDXJFZDDQSV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.74
Rot. Bonds6

About 2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol

2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol (PubChem CID 115318691) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol
PubChem CID115318691
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)N(C)CCCN)c1
InChIInChI=1S/C13H22N2O2/c1-10(15(2)8-4-7-14)12-9-11(17-3)5-6-13(12)16/h5-6,9-10,16H,4,7-8,14H2,1-3H3
InChIKeyHGEJDXJFZDDQSV-UHFFFAOYSA-N
XLogP1.74
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S)-1,5-diaminopentyl]-4-methoxyphenol
CID 171222237
5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
CID 82980149
2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
CID 60889873
2-(1,2-diaminoethyl)-4-methoxyphenol
CID 55282717
2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol
CID 43195776
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
CID 16775145
4-bromo-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
CID 82979584
2-[1-(2-hydroxy-5-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65067057
2-(1-aminopropyl)-4-methoxyphenol
CID 19748508
2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 130691846
2-[(1S)-1-amino-2-fluoroethyl]-4-methoxyphenol
CID 130739611

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol (CID 115318691) is 2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)N(C)CCCN)c1.
What is the InChIKey of 2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol?
The InChIKey is HGEJDXJFZDDQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(15(2)8-4-7-14)12-9-11(17-3)5-6-13(12)16/h5-6,9-10,16H,4,7-8,14H2,1-3H3.
What are the key properties of 2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol?
2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol has a molecular weight of 238.33 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol is sourced from PubChem (CID 115318691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).