2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol

C16H27NO3 — CID 82978164

IUPAC2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol
SMILESCCC(c1ccccc1O)N(CCCOC)CCOC
InChIInChI=1S/C16H27NO3/c1-4-15(14-8-5-6-9-16(14)18)17(11-13-20-3)10-7-12-19-2/h5-6,8-9,15,18H,4,7,10-13H2,1-3H3
InChIKeyCKHNFGZPJNBRMY-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.83
Rot. Bonds10

About 2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol

2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol (PubChem CID 82978164) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol
PubChem CID82978164
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol
SMILESCCC(c1ccccc1O)N(CCCOC)CCOC
InChIInChI=1S/C16H27NO3/c1-4-15(14-8-5-6-9-16(14)18)17(11-13-20-3)10-7-12-19-2/h5-6,8-9,15,18H,4,7,10-13H2,1-3H3
InChIKeyCKHNFGZPJNBRMY-UHFFFAOYSA-N
XLogP2.83
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
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-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol
CID 82042898
2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol
CID 82979119
2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol
CID 82982904
2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol
CID 82980424
1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol
CID 112678949
2-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]propyl]phenol
CID 62844463
2-[1-(5-bromo-2-hydroxyphenyl)propyl-(2-methoxyethyl)amino]acetic acid
CID 65067800
2-[3-methoxypropyl(methyl)amino]phenol
CID 134473103
N,N-bis(2-methoxyethyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 60709829
1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol
CID 115281985
(1R)-1-[2-[2-methoxyethyl(methyl)amino]phenyl]propan-1-ol
CID 103959855
3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine
CID 51081765

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol?
The IUPAC name of 2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol (CID 82978164) is 2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol.
What is the SMILES notation for 2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol?
The canonical SMILES for 2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol is CCC(c1ccccc1O)N(CCCOC)CCOC.
What is the InChIKey of 2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol?
The InChIKey is CKHNFGZPJNBRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-15(14-8-5-6-9-16(14)18)17(11-13-20-3)10-7-12-19-2/h5-6,8-9,15,18H,4,7,10-13H2,1-3H3.
What are the key properties of 2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol?
2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol has a molecular weight of 281.40 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol is sourced from PubChem (CID 82978164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).