2-(dimethylamino)-4-[4-[3-(dimethylamino)-4-hydroxyphenyl]hexan-3-yl]phenol

C22H32N2O2 — CID 13147101

IUPAC2-(dimethylamino)-4-[4-[3-(dimethylamino)-4-hydroxyphenyl]hexan-3-yl]phenol
SMILESCCC(c1ccc(O)c(N(C)C)c1)C(CC)c1ccc(O)c(N(C)C)c1
InChIInChI=1S/C22H32N2O2/c1-7-17(15-9-11-21(25)19(13-15)23(3)4)18(8-2)16-10-12-22(26)20(14-16)24(5)6/h9-14,17-18,25-26H,7-8H2,1-6H3
InChIKeyVAVPDGBRUPQPMZ-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.92
Rot. Bonds7

About 2-(dimethylamino)-4-[4-[3-(dimethylamino)-4-hydroxyphenyl]hexan-3-yl]phenol

2-(dimethylamino)-4-[4-[3-(dimethylamino)-4-hydroxyphenyl]hexan-3-yl]phenol (PubChem CID 13147101) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[4-[3-(dimethylamino)-4-hydroxyphenyl]hexan-3-yl]phenol.

Molecular Properties

Compound Name2-(dimethylamino)-4-[4-[3-(dimethylamino)-4-hydroxyphenyl]hexan-3-yl]phenol
PubChem CID13147101
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-(dimethylamino)-4-[4-[3-(dimethylamino)-4-hydroxyphenyl]hexan-3-yl]phenol
SMILESCCC(c1ccc(O)c(N(C)C)c1)C(CC)c1ccc(O)c(N(C)C)c1
InChIInChI=1S/C22H32N2O2/c1-7-17(15-9-11-21(25)19(13-15)23(3)4)18(8-2)16-10-12-22(26)20(14-16)24(5)6/h9-14,17-18,25-26H,7-8H2,1-6H3
InChIKeyVAVPDGBRUPQPMZ-UHFFFAOYSA-N
XLogP4.92
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[4-[3-(dimethylamino)-4-hydroxyphenyl]hexan-3-yl]phenol?
The IUPAC name of 2-(dimethylamino)-4-[4-[3-(dimethylamino)-4-hydroxyphenyl]hexan-3-yl]phenol (CID 13147101) is 2-(dimethylamino)-4-[4-[3-(dimethylamino)-4-hydroxyphenyl]hexan-3-yl]phenol.
What is the SMILES notation for 2-(dimethylamino)-4-[4-[3-(dimethylamino)-4-hydroxyphenyl]hexan-3-yl]phenol?
The canonical SMILES for 2-(dimethylamino)-4-[4-[3-(dimethylamino)-4-hydroxyphenyl]hexan-3-yl]phenol is CCC(c1ccc(O)c(N(C)C)c1)C(CC)c1ccc(O)c(N(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-4-[4-[3-(dimethylamino)-4-hydroxyphenyl]hexan-3-yl]phenol?
The InChIKey is VAVPDGBRUPQPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-7-17(15-9-11-21(25)19(13-15)23(3)4)18(8-2)16-10-12-22(26)20(14-16)24(5)6/h9-14,17-18,25-26H,7-8H2,1-6H3.
What are the key properties of 2-(dimethylamino)-4-[4-[3-(dimethylamino)-4-hydroxyphenyl]hexan-3-yl]phenol?
2-(dimethylamino)-4-[4-[3-(dimethylamino)-4-hydroxyphenyl]hexan-3-yl]phenol has a molecular weight of 356.51 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[4-[3-(dimethylamino)-4-hydroxyphenyl]hexan-3-yl]phenol is sourced from PubChem (CID 13147101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).