1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol

C23H25NO4 — CID 46962137

IUPAC1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol
SMILESCOc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)CC(C)O)ccc2c1
InChIInChI=1S/C23H25NO4/c1-16(25)12-24(14-18-4-8-22-23(10-18)28-15-27-22)13-17-3-5-20-11-21(26-2)7-6-19(20)9-17/h3-11,16,25H,12-15H2,1-2H3
InChIKeySECHKIQIANHRGT-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.96
Rot. Bonds7

About 1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol

1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol (PubChem CID 46962137) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol
PubChem CID46962137
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol
SMILESCOc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)CC(C)O)ccc2c1
InChIInChI=1S/C23H25NO4/c1-16(25)12-24(14-18-4-8-22-23(10-18)28-15-27-22)13-17-3-5-20-11-21(26-2)7-6-19(20)9-17/h3-11,16,25H,12-15H2,1-2H3
InChIKeySECHKIQIANHRGT-UHFFFAOYSA-N
XLogP3.96
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol with MolForge

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Related Compounds

1-[1,3-benzodioxol-5-ylmethyl-[(4-ethoxyphenyl)methyl]amino]propan-2-ol
CID 43818285
1-[1,3-benzodioxol-5-ylmethyl-[(2-methoxy-7-methylquinolin-3-yl)methyl]amino]propan-2-ol
CID 46962135
(2R)-1-[1,3-benzodioxol-5-ylmethyl-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93163983
(2S)-1-[1,3-benzodioxol-5-ylmethyl-[(2,5-dimethylphenyl)methyl]amino]propan-2-ol
CID 93164723
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 42116222
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 42116226
(2R)-1-[1,3-benzodioxol-5-ylmethyl-[(8-chloroquinolin-2-yl)methyl]amino]propan-2-ol
CID 51495609
ethane;1-(6-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
CID 142950158
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 42724435
(2S)-1-[1,3-benzodioxol-5-ylmethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propan-2-ol
CID 51496745
1-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methyl-(1,3-benzodioxol-5-ylmethyl)amino]propan-2-ol
CID 43818296
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide
CID 39949823

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol (CID 46962137) is 1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol is COc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)CC(C)O)ccc2c1.
What is the InChIKey of 1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol?
The InChIKey is SECHKIQIANHRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-16(25)12-24(14-18-4-8-22-23(10-18)28-15-27-22)13-17-3-5-20-11-21(26-2)7-6-19(20)9-17/h3-11,16,25H,12-15H2,1-2H3.
What are the key properties of 1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol?
1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol has a molecular weight of 379.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 46962137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).