(4R)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine

C19H27NO5 — CID 96578160

IUPAC(4R)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCOc1cc2c(cc1CN[C@@H]1CCOC3(CCOCC3)C1)OCCO2
InChIInChI=1S/C19H27NO5/c1-21-16-11-18-17(23-8-9-24-18)10-14(16)13-20-15-2-5-25-19(12-15)3-6-22-7-4-19/h10-11,15,20H,2-9,12-13H2,1H3/t15-/m1/s1
InChIKeySUDIETCCHYMBRT-OAHLLOKOSA-N
MW349.43 g/mol
LogP2.28
Rot. Bonds4

About (4R)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine

(4R)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 96578160) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is (4R)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound Name(4R)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID96578160
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name(4R)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCOc1cc2c(cc1CN[C@@H]1CCOC3(CCOCC3)C1)OCCO2
InChIInChI=1S/C19H27NO5/c1-21-16-11-18-17(23-8-9-24-18)10-14(16)13-20-15-2-5-25-19(12-15)3-6-22-7-4-19/h10-11,15,20H,2-9,12-13H2,1H3/t15-/m1/s1
InChIKeySUDIETCCHYMBRT-OAHLLOKOSA-N
XLogP2.28
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine with MolForge

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Related Compounds

(4R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96581992
N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894908
N-[(4,5-dimethylthiophen-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903616
(5S,9S)-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255380
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310
[3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230719
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70707369
(4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96577043
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 83112995
N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894953
(5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255391
4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413201

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of (4R)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine (CID 96578160) is (4R)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for (4R)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for (4R)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine is COc1cc2c(cc1CN[C@@H]1CCOC3(CCOCC3)C1)OCCO2.
What is the InChIKey of (4R)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is SUDIETCCHYMBRT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27NO5/c1-21-16-11-18-17(23-8-9-24-18)10-14(16)13-20-15-2-5-25-19(12-15)3-6-22-7-4-19/h10-11,15,20H,2-9,12-13H2,1H3/t15-/m1/s1.
What are the key properties of (4R)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
(4R)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 349.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 96578160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).