3-[4-[3-(dimethylamino)-2-methylpropoxy]fluoranthen-8-yl]oxy-N,N,2-trimethylpropan-1-amine

C28H36N2O2 — CID 163552413

IUPAC3-[4-[3-(dimethylamino)-2-methylpropoxy]fluoranthen-8-yl]oxy-N,N,2-trimethylpropan-1-amine
SMILESCC(COc1ccc2c(c1)-c1ccc(OCC(C)CN(C)C)c3cccc-2c13)CN(C)C
InChIInChI=1S/C28H36N2O2/c1-19(15-29(3)4)17-31-21-10-11-22-23-8-7-9-25-27(32-18-20(2)16-30(5)6)13-12-24(28(23)25)26(22)14-21/h7-14,19-20H,15-18H2,1-6H3
InChIKeyFKDWAXJXFWWKIE-UHFFFAOYSA-N
MW432.61 g/mol
LogP5.64
Rot. Bonds10

About 3-[4-[3-(dimethylamino)-2-methylpropoxy]fluoranthen-8-yl]oxy-N,N,2-trimethylpropan-1-amine

3-[4-[3-(dimethylamino)-2-methylpropoxy]fluoranthen-8-yl]oxy-N,N,2-trimethylpropan-1-amine (PubChem CID 163552413) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is 3-[4-[3-(dimethylamino)-2-methylpropoxy]fluoranthen-8-yl]oxy-N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[3-(dimethylamino)-2-methylpropoxy]fluoranthen-8-yl]oxy-N,N,2-trimethylpropan-1-amine
PubChem CID163552413
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC Name3-[4-[3-(dimethylamino)-2-methylpropoxy]fluoranthen-8-yl]oxy-N,N,2-trimethylpropan-1-amine
SMILESCC(COc1ccc2c(c1)-c1ccc(OCC(C)CN(C)C)c3cccc-2c13)CN(C)C
InChIInChI=1S/C28H36N2O2/c1-19(15-29(3)4)17-31-21-10-11-22-23-8-7-9-25-27(32-18-20(2)16-30(5)6)13-12-24(28(23)25)26(22)14-21/h7-14,19-20H,15-18H2,1-6H3
InChIKeyFKDWAXJXFWWKIE-UHFFFAOYSA-N
XLogP5.64
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 90710766
CID 90710766
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CID 92914884
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CID 82037382
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CID 68642581
2-[2-(dimethylamino)ethyl]-6-phenoxybenzo[de]isoquinoline-1,3-dione
CID 102447581
N-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine
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[4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine
CID 143390890
3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
CID 116820988
2-ethynyl-1,4-bis[(2S)-2-methylbutoxy]benzene
CID 173221202
5-(2-methylpropoxy)-2-benzofuran-1,3-dione
CID 139672228
2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione
CID 155341943
2-methylpropyl (3-oxo-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl) carbonate
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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(dimethylamino)-2-methylpropoxy]fluoranthen-8-yl]oxy-N,N,2-trimethylpropan-1-amine?
The IUPAC name of 3-[4-[3-(dimethylamino)-2-methylpropoxy]fluoranthen-8-yl]oxy-N,N,2-trimethylpropan-1-amine (CID 163552413) is 3-[4-[3-(dimethylamino)-2-methylpropoxy]fluoranthen-8-yl]oxy-N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-[4-[3-(dimethylamino)-2-methylpropoxy]fluoranthen-8-yl]oxy-N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 3-[4-[3-(dimethylamino)-2-methylpropoxy]fluoranthen-8-yl]oxy-N,N,2-trimethylpropan-1-amine is CC(COc1ccc2c(c1)-c1ccc(OCC(C)CN(C)C)c3cccc-2c13)CN(C)C.
What is the InChIKey of 3-[4-[3-(dimethylamino)-2-methylpropoxy]fluoranthen-8-yl]oxy-N,N,2-trimethylpropan-1-amine?
The InChIKey is FKDWAXJXFWWKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O2/c1-19(15-29(3)4)17-31-21-10-11-22-23-8-7-9-25-27(32-18-20(2)16-30(5)6)13-12-24(28(23)25)26(22)14-21/h7-14,19-20H,15-18H2,1-6H3.
What are the key properties of 3-[4-[3-(dimethylamino)-2-methylpropoxy]fluoranthen-8-yl]oxy-N,N,2-trimethylpropan-1-amine?
3-[4-[3-(dimethylamino)-2-methylpropoxy]fluoranthen-8-yl]oxy-N,N,2-trimethylpropan-1-amine has a molecular weight of 432.61 g/mol, XLogP of 5.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(dimethylamino)-2-methylpropoxy]fluoranthen-8-yl]oxy-N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 163552413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).