(2R,6S)-4-(2-chloro-4-heptylphenyl)-2,6-dimethylmorpholine

C19H30ClNO — CID 59545923

IUPAC(2R,6S)-4-(2-chloro-4-heptylphenyl)-2,6-dimethylmorpholine
SMILESCCCCCCCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C19H30ClNO/c1-4-5-6-7-8-9-17-10-11-19(18(20)12-17)21-13-15(2)22-16(3)14-21/h10-12,15-16H,4-9,13-14H2,1-3H3/t15-,16+
InChIKeyJOTSTHHZUCFAQU-IYBDPMFKSA-N
MW323.91 g/mol
LogP5.47
Rot. Bonds7

About (2R,6S)-4-(2-chloro-4-heptylphenyl)-2,6-dimethylmorpholine

(2R,6S)-4-(2-chloro-4-heptylphenyl)-2,6-dimethylmorpholine (PubChem CID 59545923) has the molecular formula C19H30ClNO and a molecular weight of 323.91 g/mol. Its IUPAC name is (2R,6S)-4-(2-chloro-4-heptylphenyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(2-chloro-4-heptylphenyl)-2,6-dimethylmorpholine
PubChem CID59545923
Molecular FormulaC19H30ClNO
Molecular Weight323.91 g/mol
Exact Mass323.20
IUPAC Name(2R,6S)-4-(2-chloro-4-heptylphenyl)-2,6-dimethylmorpholine
SMILESCCCCCCCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C19H30ClNO/c1-4-5-6-7-8-9-17-10-11-19(18(20)12-17)21-13-15(2)22-16(3)14-21/h10-12,15-16H,4-9,13-14H2,1-3H3/t15-,16+
InChIKeyJOTSTHHZUCFAQU-IYBDPMFKSA-N
XLogP5.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.91
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(2-chloro-4-heptylphenyl)-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-(2-chloro-4-heptylphenyl)-2,6-dimethylmorpholine (CID 59545923) is (2R,6S)-4-(2-chloro-4-heptylphenyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-(2-chloro-4-heptylphenyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-(2-chloro-4-heptylphenyl)-2,6-dimethylmorpholine is CCCCCCCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1.
What is the InChIKey of (2R,6S)-4-(2-chloro-4-heptylphenyl)-2,6-dimethylmorpholine?
The InChIKey is JOTSTHHZUCFAQU-IYBDPMFKSA-N. The full InChI is InChI=1S/C19H30ClNO/c1-4-5-6-7-8-9-17-10-11-19(18(20)12-17)21-13-15(2)22-16(3)14-21/h10-12,15-16H,4-9,13-14H2,1-3H3/t15-,16+.
What are the key properties of (2R,6S)-4-(2-chloro-4-heptylphenyl)-2,6-dimethylmorpholine?
(2R,6S)-4-(2-chloro-4-heptylphenyl)-2,6-dimethylmorpholine has a molecular weight of 323.91 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(2-chloro-4-heptylphenyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 59545923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).