2-(7-chloro-1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethylamino]ethanol

C15H23ClN2O3 — CID 61050221

IUPAC2-(7-chloro-1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethylamino]ethanol
SMILESCCN(CC)CCNC(CO)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C15H23ClN2O3/c1-3-18(4-2)6-5-17-13(9-19)11-7-12(16)15-14(8-11)20-10-21-15/h7-8,13,17,19H,3-6,9-10H2,1-2H3
InChIKeyBDZPYTBXESYJNZ-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.03
Rot. Bonds8

About 2-(7-chloro-1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethylamino]ethanol

2-(7-chloro-1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethylamino]ethanol (PubChem CID 61050221) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-(7-chloro-1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethylamino]ethanol.

Molecular Properties

Compound Name2-(7-chloro-1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethylamino]ethanol
PubChem CID61050221
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-(7-chloro-1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethylamino]ethanol
SMILESCCN(CC)CCNC(CO)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C15H23ClN2O3/c1-3-18(4-2)6-5-17-13(9-19)11-7-12(16)15-14(8-11)20-10-21-15/h7-8,13,17,19H,3-6,9-10H2,1-2H3
InChIKeyBDZPYTBXESYJNZ-UHFFFAOYSA-N
XLogP2.03
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-chloro-1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)ethanol
CID 61056354
2-(7-chloro-1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)ethanol
CID 61050392
2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol
CID 106818142
2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol
CID 61049233
(2S)-2-amino-2-(7-chloro-1,3-benzodioxol-5-yl)ethanol
CID 93471728
1-(7-chloro-1,3-benzodioxol-5-yl)propan-1-ol
CID 63895238
2-(7-chloro-1,3-benzodioxol-5-yl)-2-(propylamino)acetamide
CID 60796925
N-but-3-ynyl-1-(7-chloro-1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 116641326
2-(7-chloro-1,3-benzodioxol-5-yl)-2-(propylamino)acetonitrile
CID 43143730
(3S)-3-acetamido-3-(7-chloro-1,3-benzodioxol-5-yl)propanoic acid
CID 78947545
4-chloro-6-propan-2-yl-1,3-benzodioxole
CID 58332059
2-(7-chloro-1,3-benzodioxol-5-yl)-2-(diethylamino)acetic acid
CID 43803679

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethylamino]ethanol?
The IUPAC name of 2-(7-chloro-1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethylamino]ethanol (CID 61050221) is 2-(7-chloro-1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethylamino]ethanol.
What is the SMILES notation for 2-(7-chloro-1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethylamino]ethanol?
The canonical SMILES for 2-(7-chloro-1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethylamino]ethanol is CCN(CC)CCNC(CO)c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of 2-(7-chloro-1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethylamino]ethanol?
The InChIKey is BDZPYTBXESYJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-3-18(4-2)6-5-17-13(9-19)11-7-12(16)15-14(8-11)20-10-21-15/h7-8,13,17,19H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(7-chloro-1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethylamino]ethanol?
2-(7-chloro-1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethylamino]ethanol has a molecular weight of 314.81 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethylamino]ethanol is sourced from PubChem (CID 61050221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).