5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol

C16H28N2O2 — CID 107705372

IUPAC5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol
SMILESCC(C)CC(CNC(C)c1cc(O)cc(O)c1)N(C)C
InChIInChI=1S/C16H28N2O2/c1-11(2)6-14(18(4)5)10-17-12(3)13-7-15(19)9-16(20)8-13/h7-9,11-12,14,17,19-20H,6,10H2,1-5H3
InChIKeyVSMBAIYNHMYMRZ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.72
Rot. Bonds7

About 5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol

5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol (PubChem CID 107705372) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol
PubChem CID107705372
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol
SMILESCC(C)CC(CNC(C)c1cc(O)cc(O)c1)N(C)C
InChIInChI=1S/C16H28N2O2/c1-11(2)6-14(18(4)5)10-17-12(3)13-7-15(19)9-16(20)8-13/h7-9,11-12,14,17,19-20H,6,10H2,1-5H3
InChIKeyVSMBAIYNHMYMRZ-UHFFFAOYSA-N
XLogP2.72
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol with MolForge

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Related Compounds

1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43099857
1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43111554
2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol
CID 43504787
1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 107353919
4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
CID 61043440
5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol
CID 107706480
5-[1-(2,2-dimethylhydrazinyl)ethyl]benzene-1,3-diol
CID 107707064
2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine
CID 64993003
5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol
CID 106040787
5-[1-(2-methylsulfanylethylamino)ethyl]benzene-1,3-diol
CID 107706581
1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43207976
5-[1-(4-aminobutylamino)ethyl]benzene-1,3-diol
CID 107706031

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol (CID 107705372) is 5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol is CC(C)CC(CNC(C)c1cc(O)cc(O)c1)N(C)C.
What is the InChIKey of 5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol?
The InChIKey is VSMBAIYNHMYMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(2)6-14(18(4)5)10-17-12(3)13-7-15(19)9-16(20)8-13/h7-9,11-12,14,17,19-20H,6,10H2,1-5H3.
What are the key properties of 5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol?
5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol has a molecular weight of 280.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107705372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).