(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine

C23H29NO3 — CID 23627508

IUPAC(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine
SMILESCOc1ccc(N2CCO[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H29NO3/c1-25-22-12-11-19(16-23(22)27-20-9-5-6-10-20)24-13-14-26-21(17-24)15-18-7-3-2-4-8-18/h2-4,7-8,11-12,16,20-21H,5-6,9-10,13-15,17H2,1H3/t21-/m0/s1
InChIKeyDPHLCZRCXLCBAA-NRFANRHFSA-N
MW367.49 g/mol
LogP4.46
Rot. Bonds6

About (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine

(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine (PubChem CID 23627508) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine.

Molecular Properties

Compound Name(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine
PubChem CID23627508
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine
SMILESCOc1ccc(N2CCO[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H29NO3/c1-25-22-12-11-19(16-23(22)27-20-9-5-6-10-20)24-13-14-26-21(17-24)15-18-7-3-2-4-8-18/h2-4,7-8,11-12,16,20-21H,5-6,9-10,13-15,17H2,1H3/t21-/m0/s1
InChIKeyDPHLCZRCXLCBAA-NRFANRHFSA-N
XLogP4.46
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine?
The IUPAC name of (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine (CID 23627508) is (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine.
What is the SMILES notation for (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine?
The canonical SMILES for (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine is COc1ccc(N2CCO[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1.
What is the InChIKey of (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine?
The InChIKey is DPHLCZRCXLCBAA-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29NO3/c1-25-22-12-11-19(16-23(22)27-20-9-5-6-10-20)24-13-14-26-21(17-24)15-18-7-3-2-4-8-18/h2-4,7-8,11-12,16,20-21H,5-6,9-10,13-15,17H2,1H3/t21-/m0/s1.
What are the key properties of (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine?
(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine has a molecular weight of 367.49 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine is sourced from PubChem (CID 23627508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).