5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol

C14H24N2O2 — CID 107706480

IUPAC5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol
SMILESCC(NCCN(C)C(C)C)c1cc(O)cc(O)c1
InChIInChI=1S/C14H24N2O2/c1-10(2)16(4)6-5-15-11(3)12-7-13(17)9-14(18)8-12/h7-11,15,17-18H,5-6H2,1-4H3
InChIKeySBFNUDQSTHJWLL-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.09
Rot. Bonds6

About 5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol

5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol (PubChem CID 107706480) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol
PubChem CID107706480
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol
SMILESCC(NCCN(C)C(C)C)c1cc(O)cc(O)c1
InChIInChI=1S/C14H24N2O2/c1-10(2)16(4)6-5-15-11(3)12-7-13(17)9-14(18)8-12/h7-11,15,17-18H,5-6H2,1-4H3
InChIKeySBFNUDQSTHJWLL-UHFFFAOYSA-N
XLogP2.09
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol
CID 106040787
N-[1-(3,4-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097372
N-[1-(4-bromophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636249
N-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635758
2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol
CID 55097894
2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide
CID 107705457
N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634707
4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile
CID 55097943
5-[1-(2-methylsulfanylethylamino)ethyl]benzene-1,3-diol
CID 107706581
5-[1-(2,2-dimethylhydrazinyl)ethyl]benzene-1,3-diol
CID 107707064
N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103780380
5-[1-[methyl-[2-(methylamino)ethyl]amino]ethyl]benzene-1,3-diol
CID 107707637

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol (CID 107706480) is 5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol is CC(NCCN(C)C(C)C)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol?
The InChIKey is SBFNUDQSTHJWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)16(4)6-5-15-11(3)12-7-13(17)9-14(18)8-12/h7-11,15,17-18H,5-6H2,1-4H3.
What are the key properties of 5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol?
5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol has a molecular weight of 252.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107706480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).