2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol

C15H26N2O2 — CID 82979025

IUPAC2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol
SMILESCCCN(CCN(C)C)Cc1cc(OC)ccc1O
InChIInChI=1S/C15H26N2O2/c1-5-8-17(10-9-16(2)3)12-13-11-14(19-4)6-7-15(13)18/h6-7,11,18H,5,8-10,12H2,1-4H3
InChIKeyDTAILKXWVUPGTP-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.17
Rot. Bonds8

About 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol

2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol (PubChem CID 82979025) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol
PubChem CID82979025
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol
SMILESCCCN(CCN(C)C)Cc1cc(OC)ccc1O
InChIInChI=1S/C15H26N2O2/c1-5-8-17(10-9-16(2)3)12-13-11-14(19-4)6-7-15(13)18/h6-7,11,18H,5,8-10,12H2,1-4H3
InChIKeyDTAILKXWVUPGTP-UHFFFAOYSA-N
XLogP2.17
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[[methyl(propyl)amino]methyl]phenol
CID 82977818
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol
CID 79668470
N-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine
CID 102312113
2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
CID 65326713
4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977656
[2-[[ethyl(propyl)amino]methyl]-4-methoxyphenyl]boronic acid
CID 65322949
4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 106625159
N-(2-chloroethyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 102878826
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol
CID 82983680
4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978580
2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide
CID 103104516

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol (CID 82979025) is 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol is CCCN(CCN(C)C)Cc1cc(OC)ccc1O.
What is the InChIKey of 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol?
The InChIKey is DTAILKXWVUPGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-8-17(10-9-16(2)3)12-13-11-14(19-4)6-7-15(13)18/h6-7,11,18H,5,8-10,12H2,1-4H3.
What are the key properties of 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol?
2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol has a molecular weight of 266.38 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol is sourced from PubChem (CID 82979025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).