(2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine

C23H29N3O2 — CID 95543076

IUPAC(2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
SMILESCOc1ccc2cc([C@@H]3CN(Cc4cncn4CC(C)C)CCO3)ccc2c1
InChIInChI=1S/C23H29N3O2/c1-17(2)13-26-16-24-12-21(26)14-25-8-9-28-23(15-25)20-5-4-19-11-22(27-3)7-6-18(19)10-20/h4-7,10-12,16-17,23H,8-9,13-15H2,1-3H3/t23-/m0/s1
InChIKeyGUWUKIMSJBNSEF-QHCPKHFHSA-N
MW379.50 g/mol
LogP4.27
Rot. Bonds6

About (2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine

(2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine (PubChem CID 95543076) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
PubChem CID95543076
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
SMILESCOc1ccc2cc([C@@H]3CN(Cc4cncn4CC(C)C)CCO3)ccc2c1
InChIInChI=1S/C23H29N3O2/c1-17(2)13-26-16-24-12-21(26)14-25-8-9-28-23(15-25)20-5-4-19-11-22(27-3)7-6-18(19)10-20/h4-7,10-12,16-17,23H,8-9,13-15H2,1-3H3/t23-/m0/s1
InChIKeyGUWUKIMSJBNSEF-QHCPKHFHSA-N
XLogP4.27
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
CID 56879666
(2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
CID 95558937
2-(6-methoxynaphthalen-2-yl)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine
CID 56918123
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 56880097
(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 95553263
4-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 56877898
(2R)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 95553262
(2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine
CID 95550441
4-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 56876335
methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate
CID 95558883
5-[[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 95562733
(2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 95545477

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine?
The IUPAC name of (2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine (CID 95543076) is (2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine.
What is the SMILES notation for (2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine?
The canonical SMILES for (2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine is COc1ccc2cc([C@@H]3CN(Cc4cncn4CC(C)C)CCO3)ccc2c1.
What is the InChIKey of (2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine?
The InChIKey is GUWUKIMSJBNSEF-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17(2)13-26-16-24-12-21(26)14-25-8-9-28-23(15-25)20-5-4-19-11-22(27-3)7-6-18(19)10-20/h4-7,10-12,16-17,23H,8-9,13-15H2,1-3H3/t23-/m0/s1.
What are the key properties of (2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine?
(2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine has a molecular weight of 379.50 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine is sourced from PubChem (CID 95543076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).