3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol

C28H44N2O2 — CID 123630245

IUPAC3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol
SMILESCCC(c1cccc(O)c1)C(C)CN(C)CC(C)C(c1cccc(O)c1)C(C)CN(C)C
InChIInChI=1S/C28H44N2O2/c1-8-27(23-11-9-13-25(31)15-23)20(2)18-30(7)19-22(4)28(21(3)17-29(5)6)24-12-10-14-26(32)16-24/h9-16,20-22,27-28,31-32H,8,17-19H2,1-7H3
InChIKeyRXKBPZOWFFADEC-UHFFFAOYSA-N
MW440.67 g/mol
LogP5.78
Rot. Bonds12

About 3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol

3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol (PubChem CID 123630245) has the molecular formula C28H44N2O2 and a molecular weight of 440.67 g/mol. Its IUPAC name is 3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol.

Molecular Properties

Compound Name3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol
PubChem CID123630245
Molecular FormulaC28H44N2O2
Molecular Weight440.67 g/mol
Exact Mass440.34
IUPAC Name3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol
SMILESCCC(c1cccc(O)c1)C(C)CN(C)CC(C)C(c1cccc(O)c1)C(C)CN(C)C
InChIInChI=1S/C28H44N2O2/c1-8-27(23-11-9-13-25(31)15-23)20(2)18-30(7)19-22(4)28(21(3)17-29(5)6)24-12-10-14-26(32)16-24/h9-16,20-22,27-28,31-32H,8,17-19H2,1-7H3
InChIKeyRXKBPZOWFFADEC-UHFFFAOYSA-N
XLogP5.78
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.67
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol with MolForge

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Related Compounds

3-[(2R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrochloride
CID 69349289
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane
CID 159304421
(Z)-but-2-enedioic acid;3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol
CID 51042275
(Z)-but-2-enedioic acid;3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrate
CID 90279936
3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol
CID 70853706
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;pyridine-3-carboxylic acid
CID 66680084
3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687
3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol
CID 118204770
(3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine
CID 78358059
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol
CID 71558543
3-[1-(dimethylamino)propan-2-yl]phenol
CID 3029890
3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol
CID 87967492

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol?
The IUPAC name of 3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol (CID 123630245) is 3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol.
What is the SMILES notation for 3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol?
The canonical SMILES for 3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol is CCC(c1cccc(O)c1)C(C)CN(C)CC(C)C(c1cccc(O)c1)C(C)CN(C)C.
What is the InChIKey of 3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol?
The InChIKey is RXKBPZOWFFADEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2O2/c1-8-27(23-11-9-13-25(31)15-23)20(2)18-30(7)19-22(4)28(21(3)17-29(5)6)24-12-10-14-26(32)16-24/h9-16,20-22,27-28,31-32H,8,17-19H2,1-7H3.
What are the key properties of 3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol?
3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol has a molecular weight of 440.67 g/mol, XLogP of 5.78, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol is sourced from PubChem (CID 123630245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).