1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol

C28H37NO3 — CID 57388173

IUPAC1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol
SMILESCCCN(CCC)CCOc1ccc(Cc2c(OCC(C)O)ccc3ccccc23)cc1
InChIInChI=1S/C28H37NO3/c1-4-16-29(17-5-2)18-19-31-25-13-10-23(11-14-25)20-27-26-9-7-6-8-24(26)12-15-28(27)32-21-22(3)30/h6-15,22,30H,4-5,16-21H2,1-3H3
InChIKeyNBMLMDSMRAWICM-UHFFFAOYSA-N
MW435.61 g/mol
LogP5.69
Rot. Bonds13

About 1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol

1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol (PubChem CID 57388173) has the molecular formula C28H37NO3 and a molecular weight of 435.61 g/mol. Its IUPAC name is 1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol.

Molecular Properties

Compound Name1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol
PubChem CID57388173
Molecular FormulaC28H37NO3
Molecular Weight435.61 g/mol
Exact Mass435.28
IUPAC Name1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol
SMILESCCCN(CCC)CCOc1ccc(Cc2c(OCC(C)O)ccc3ccccc23)cc1
InChIInChI=1S/C28H37NO3/c1-4-16-29(17-5-2)18-19-31-25-13-10-23(11-14-25)20-27-26-9-7-6-8-24(26)12-15-28(27)32-21-22(3)30/h6-15,22,30H,4-5,16-21H2,1-3H3
InChIKeyNBMLMDSMRAWICM-UHFFFAOYSA-N
XLogP5.69
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.61
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol with MolForge

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Related Compounds

2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol
CID 123413741
1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol
CID 60888861
2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
CID 60884344
5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol
CID 57388462
1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol
CID 60888672
1-benzyl-2-ethoxynaphthalene
CID 12064074
1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol
CID 67987980
N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine
CID 5261957
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine
CID 43253445
5-[[4-[2-(dibutylamino)ethoxy]phenyl]methyl]-6-(4-hydroxyphenyl)naphthalen-2-ol;hydrochloride
CID 18675943
4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol
CID 43504128
2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol
CID 57388624

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol?
The IUPAC name of 1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol (CID 57388173) is 1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol.
What is the SMILES notation for 1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol?
The canonical SMILES for 1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol is CCCN(CCC)CCOc1ccc(Cc2c(OCC(C)O)ccc3ccccc23)cc1.
What is the InChIKey of 1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol?
The InChIKey is NBMLMDSMRAWICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NO3/c1-4-16-29(17-5-2)18-19-31-25-13-10-23(11-14-25)20-27-26-9-7-6-8-24(26)12-15-28(27)32-21-22(3)30/h6-15,22,30H,4-5,16-21H2,1-3H3.
What are the key properties of 1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol?
1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol has a molecular weight of 435.61 g/mol, XLogP of 5.69, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol is sourced from PubChem (CID 57388173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).