(2S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-methyl-6-methylidenemorpholine

C20H31NO — CID 163798698

IUPAC(2S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-methyl-6-methylidenemorpholine
SMILESC=C1CN(CC(C)Cc2ccc(C(C)(C)C)cc2)C[C@H](C)O1
InChIInChI=1S/C20H31NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15,17H,2,11-14H2,1,3-6H3/t15?,17-/m0/s1
InChIKeyNDBJIZMHTBIDJO-LWKPJOBUSA-N
MW301.47 g/mol
LogP4.40
Rot. Bonds4

About (2S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-methyl-6-methylidenemorpholine

(2S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-methyl-6-methylidenemorpholine (PubChem CID 163798698) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is (2S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-methyl-6-methylidenemorpholine.

Molecular Properties

Compound Name(2S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-methyl-6-methylidenemorpholine
PubChem CID163798698
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name(2S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-methyl-6-methylidenemorpholine
SMILESC=C1CN(CC(C)Cc2ccc(C(C)(C)C)cc2)C[C@H](C)O1
InChIInChI=1S/C20H31NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15,17H,2,11-14H2,1,3-6H3/t15?,17-/m0/s1
InChIKeyNDBJIZMHTBIDJO-LWKPJOBUSA-N
XLogP4.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-methyl-6-methylidenemorpholine?
The IUPAC name of (2S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-methyl-6-methylidenemorpholine (CID 163798698) is (2S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-methyl-6-methylidenemorpholine.
What is the SMILES notation for (2S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-methyl-6-methylidenemorpholine?
The canonical SMILES for (2S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-methyl-6-methylidenemorpholine is C=C1CN(CC(C)Cc2ccc(C(C)(C)C)cc2)C[C@H](C)O1.
What is the InChIKey of (2S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-methyl-6-methylidenemorpholine?
The InChIKey is NDBJIZMHTBIDJO-LWKPJOBUSA-N. The full InChI is InChI=1S/C20H31NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15,17H,2,11-14H2,1,3-6H3/t15?,17-/m0/s1.
What are the key properties of (2S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-methyl-6-methylidenemorpholine?
(2S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-methyl-6-methylidenemorpholine has a molecular weight of 301.47 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-methyl-6-methylidenemorpholine is sourced from PubChem (CID 163798698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).