5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol

C18H24N2O4 — CID 18371496

IUPAC5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol
SMILESCOCCN(CCOC)c1ccc(N)cc1-c1cc(O)cc(O)c1
InChIInChI=1S/C18H24N2O4/c1-23-7-5-20(6-8-24-2)18-4-3-14(19)11-17(18)13-9-15(21)12-16(22)10-13/h3-4,9-12,21-22H,5-8,19H2,1-2H3
InChIKeyMNDNVZBITGNTBZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.45
Rot. Bonds8

About 5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol

5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol (PubChem CID 18371496) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol
PubChem CID18371496
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol
SMILESCOCCN(CCOC)c1ccc(N)cc1-c1cc(O)cc(O)c1
InChIInChI=1S/C18H24N2O4/c1-23-7-5-20(6-8-24-2)18-4-3-14(19)11-17(18)13-9-15(21)12-16(22)10-13/h3-4,9-12,21-22H,5-8,19H2,1-2H3
InChIKeyMNDNVZBITGNTBZ-UHFFFAOYSA-N
XLogP2.45
TPSA88.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 18371415
2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 18371796
1-N,1-N-bis(2-methoxyethyl)-2-(4-methyl-3-nitrophenyl)benzene-1,4-diamine
CID 18371649
1-N-(2-methoxyethyl)-1-N-methyl-2-(1-methylpyrrol-3-yl)benzene-1,4-diamine
CID 54036933
2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol
CID 18371877
2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
CID 63734268
4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide
CID 113467671
2-[4-amino-N-(2-hydroxyethyl)-2-(4-trimethylsilylphenyl)anilino]ethanol
CID 18371922
5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide
CID 55221201
3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
CID 43587927
2-[bis(2-methoxyethyl)amino]-5-chlorobenzamide
CID 139902291
1-N-(2-methoxyethyl)-1-N-methyl-2-thiophen-2-ylbenzene-1,4-diamine
CID 54366380

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol?
The IUPAC name of 5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol (CID 18371496) is 5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol?
The canonical SMILES for 5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol is COCCN(CCOC)c1ccc(N)cc1-c1cc(O)cc(O)c1.
What is the InChIKey of 5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol?
The InChIKey is MNDNVZBITGNTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-23-7-5-20(6-8-24-2)18-4-3-14(19)11-17(18)13-9-15(21)12-16(22)10-13/h3-4,9-12,21-22H,5-8,19H2,1-2H3.
What are the key properties of 5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol?
5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol has a molecular weight of 332.40 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol is sourced from PubChem (CID 18371496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).