3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol

C21H30N2O — CID 142915083

IUPAC3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol
SMILESCCNCC(C)(C)c1ccc(CN(CC)c2cccc(O)c2)cc1
InChIInChI=1S/C21H30N2O/c1-5-22-16-21(3,4)18-12-10-17(11-13-18)15-23(6-2)19-8-7-9-20(24)14-19/h7-14,22,24H,5-6,15-16H2,1-4H3
InChIKeyIOSLRBJFWRSWDZ-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.31
Rot. Bonds8

About 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol

3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol (PubChem CID 142915083) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol.

Molecular Properties

Compound Name3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol
PubChem CID142915083
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol
SMILESCCNCC(C)(C)c1ccc(CN(CC)c2cccc(O)c2)cc1
InChIInChI=1S/C21H30N2O/c1-5-22-16-21(3,4)18-12-10-17(11-13-18)15-23(6-2)19-8-7-9-20(24)14-19/h7-14,22,24H,5-6,15-16H2,1-4H3
InChIKeyIOSLRBJFWRSWDZ-UHFFFAOYSA-N
XLogP4.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol?
The IUPAC name of 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol (CID 142915083) is 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol.
What is the SMILES notation for 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol?
The canonical SMILES for 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol is CCNCC(C)(C)c1ccc(CN(CC)c2cccc(O)c2)cc1.
What is the InChIKey of 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol?
The InChIKey is IOSLRBJFWRSWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-5-22-16-21(3,4)18-12-10-17(11-13-18)15-23(6-2)19-8-7-9-20(24)14-19/h7-14,22,24H,5-6,15-16H2,1-4H3.
What are the key properties of 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol?
3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol has a molecular weight of 326.48 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol is sourced from PubChem (CID 142915083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).