(1R,2R,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol

C18H26N2O5 — CID 163181440

IUPAC(1R,2R,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESCOc1ccccc1CN[C@@H]1[C@H](O)[C@@H](N2CCOCC2)[C@@H]2OC[C@@H]1O2
InChIInChI=1S/C18H26N2O5/c1-22-13-5-3-2-4-12(13)10-19-15-14-11-24-18(25-14)16(17(15)21)20-6-8-23-9-7-20/h2-5,14-19,21H,6-11H2,1H3/t14-,15-,16+,17-,18+/m0/s1
InChIKeyZGIOWEMZXCRHFH-IECFSIQFSA-N
MW350.42 g/mol
LogP-0.03
Rot. Bonds5

About (1R,2R,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol

(1R,2R,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol (PubChem CID 163181440) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is (1R,2R,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,2R,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
PubChem CID163181440
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name(1R,2R,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESCOc1ccccc1CN[C@@H]1[C@H](O)[C@@H](N2CCOCC2)[C@@H]2OC[C@@H]1O2
InChIInChI=1S/C18H26N2O5/c1-22-13-5-3-2-4-12(13)10-19-15-14-11-24-18(25-14)16(17(15)21)20-6-8-23-9-7-20/h2-5,14-19,21H,6-11H2,1H3/t14-,15-,16+,17-,18+/m0/s1
InChIKeyZGIOWEMZXCRHFH-IECFSIQFSA-N
XLogP-0.03
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R,2R,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

(1S,2S,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 28960448
(1S,2S,3S,4R,5R)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(4-phenylphenyl)methylamino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 45360555
1-[4-[3-hydroxy-2-[(2-hydroxy-4-methoxyphenyl)methylamino]-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]ethanone
CID 74577164
2-(cyclopropylmethylamino)-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74419552
4-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74419548
1-[3-hydroxy-2-[(2-hydroxyphenyl)methylamino]-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide
CID 74442661
1-[(1S,2S,3S,4R,5R)-3-hydroxy-2-[(4-methoxyphenyl)methylamino]-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide
CID 28960500
(1S,2S,3S,4R,5R)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 25338230
1-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-2-yl]-3-phenylurea
CID 74419542
1-[2-(furan-2-ylmethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide
CID 74577289
(1R,2R,3S,4R,5R)-2-(benzylamino)-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 163148833
N-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine
CID 57312448

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,2R,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol (CID 163181440) is (1R,2R,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,2R,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,2R,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol is COc1ccccc1CN[C@@H]1[C@H](O)[C@@H](N2CCOCC2)[C@@H]2OC[C@@H]1O2.
What is the InChIKey of (1R,2R,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The InChIKey is ZGIOWEMZXCRHFH-IECFSIQFSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-22-13-5-3-2-4-12(13)10-19-15-14-11-24-18(25-14)16(17(15)21)20-6-8-23-9-7-20/h2-5,14-19,21H,6-11H2,1H3/t14-,15-,16+,17-,18+/m0/s1.
What are the key properties of (1R,2R,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
(1R,2R,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol has a molecular weight of 350.42 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4R,5R)-2-[(2-methoxyphenyl)methylamino]-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 163181440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).