2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol

C14H24N2O3 — CID 82042898

IUPAC2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol
SMILESCOCCN(CCOC)C(CN)c1ccccc1O
InChIInChI=1S/C14H24N2O3/c1-18-9-7-16(8-10-19-2)13(11-15)12-5-3-4-6-14(12)17/h3-6,13,17H,7-11,15H2,1-2H3
InChIKeyYPLNRQINIZHXAD-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.99
Rot. Bonds9

About 2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol

2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol (PubChem CID 82042898) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol.

Molecular Properties

Compound Name2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol
PubChem CID82042898
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol
SMILESCOCCN(CCOC)C(CN)c1ccccc1O
InChIInChI=1S/C14H24N2O3/c1-18-9-7-16(8-10-19-2)13(11-15)12-5-3-4-6-14(12)17/h3-6,13,17H,7-11,15H2,1-2H3
InChIKeyYPLNRQINIZHXAD-UHFFFAOYSA-N
XLogP0.99
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-methoxyethyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 60709829
2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol
CID 82978164
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 54986740
1-(2-bromophenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 61448446
2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol
CID 82979119
N,N-bis(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 60709846
3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile
CID 63284752
1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 54945275
1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine
CID 62390733
1-isoquinolin-4-yl-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 104504092
2-(1-aminopropan-2-yl)phenol
CID 3028046
1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 114842967

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol?
The IUPAC name of 2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol (CID 82042898) is 2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol.
What is the SMILES notation for 2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol?
The canonical SMILES for 2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol is COCCN(CCOC)C(CN)c1ccccc1O.
What is the InChIKey of 2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol?
The InChIKey is YPLNRQINIZHXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-18-9-7-16(8-10-19-2)13(11-15)12-5-3-4-6-14(12)17/h3-6,13,17H,7-11,15H2,1-2H3.
What are the key properties of 2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol?
2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol has a molecular weight of 268.36 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol is sourced from PubChem (CID 82042898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).