1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol

C23H27NO4 — CID 16553388

IUPAC1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol
SMILESCOc1ccc(CN(C)CC(O)COc2ccc3ccccc3c2)c(OC)c1
InChIInChI=1S/C23H27NO4/c1-24(14-19-9-10-21(26-2)13-23(19)27-3)15-20(25)16-28-22-11-8-17-6-4-5-7-18(17)12-22/h4-13,20,25H,14-16H2,1-3H3
InChIKeyZRNZEAQOQSKTCP-UHFFFAOYSA-N
MW381.47 g/mol
LogP3.73
Rot. Bonds9

About 1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol

1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 16553388) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol
PubChem CID16553388
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol
SMILESCOc1ccc(CN(C)CC(O)COc2ccc3ccccc3c2)c(OC)c1
InChIInChI=1S/C23H27NO4/c1-24(14-19-9-10-21(26-2)13-23(19)27-3)15-20(25)16-28-22-11-8-17-6-4-5-7-18(17)12-22/h4-13,20,25H,14-16H2,1-3H3
InChIKeyZRNZEAQOQSKTCP-UHFFFAOYSA-N
XLogP3.73
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
CID 115121489
1-(4-fluorophenoxy)-3-[(2-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 110877418
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 41324163
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2769832
1-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 46798100
1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 78820773
2-[2-(4-methoxyphenoxy)propoxy]naphthalene
CID 86155874
1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904927
1-(dipropylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2834359
1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2884745

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol (CID 16553388) is 1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol is COc1ccc(CN(C)CC(O)COc2ccc3ccccc3c2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is ZRNZEAQOQSKTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-24(14-19-9-10-21(26-2)13-23(19)27-3)15-20(25)16-28-22-11-8-17-6-4-5-7-18(17)12-22/h4-13,20,25H,14-16H2,1-3H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol?
1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 381.47 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 16553388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).