4-[2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]-2-(2-hydroxyethyl)phenol

C22H29NO4 — CID 123453655

IUPAC4-[2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]-2-(2-hydroxyethyl)phenol
SMILESCCOc1ccc2c(c1)CC(NCC(O)c1ccc(O)c(CCO)c1)CC2
InChIInChI=1S/C22H29NO4/c1-2-27-20-7-4-15-3-6-19(12-18(15)13-20)23-14-22(26)16-5-8-21(25)17(11-16)9-10-24/h4-5,7-8,11,13,19,22-26H,2-3,6,9-10,12,14H2,1H3
InChIKeyGYKSUVPGZXXSFS-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.51
Rot. Bonds8

About 4-[2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]-2-(2-hydroxyethyl)phenol

4-[2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]-2-(2-hydroxyethyl)phenol (PubChem CID 123453655) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-[2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]-2-(2-hydroxyethyl)phenol.

Molecular Properties

Compound Name4-[2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]-2-(2-hydroxyethyl)phenol
PubChem CID123453655
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name4-[2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]-2-(2-hydroxyethyl)phenol
SMILESCCOc1ccc2c(c1)CC(NCC(O)c1ccc(O)c(CCO)c1)CC2
InChIInChI=1S/C22H29NO4/c1-2-27-20-7-4-15-3-6-19(12-18(15)13-20)23-14-22(26)16-5-8-21(25)17(11-16)9-10-24/h4-5,7-8,11,13,19,22-26H,2-3,6,9-10,12,14H2,1H3
InChIKeyGYKSUVPGZXXSFS-UHFFFAOYSA-N
XLogP2.51
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]-2-(2-hydroxyethyl)phenol?
The IUPAC name of 4-[2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]-2-(2-hydroxyethyl)phenol (CID 123453655) is 4-[2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]-2-(2-hydroxyethyl)phenol.
What is the SMILES notation for 4-[2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]-2-(2-hydroxyethyl)phenol?
The canonical SMILES for 4-[2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]-2-(2-hydroxyethyl)phenol is CCOc1ccc2c(c1)CC(NCC(O)c1ccc(O)c(CCO)c1)CC2.
What is the InChIKey of 4-[2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]-2-(2-hydroxyethyl)phenol?
The InChIKey is GYKSUVPGZXXSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-2-27-20-7-4-15-3-6-19(12-18(15)13-20)23-14-22(26)16-5-8-21(25)17(11-16)9-10-24/h4-5,7-8,11,13,19,22-26H,2-3,6,9-10,12,14H2,1H3.
What are the key properties of 4-[2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]-2-(2-hydroxyethyl)phenol?
4-[2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]-2-(2-hydroxyethyl)phenol has a molecular weight of 371.48 g/mol, XLogP of 2.51, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]-2-(2-hydroxyethyl)phenol is sourced from PubChem (CID 123453655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).