(2R,6S)-4-(3-heptylphenyl)-2,6-dimethylmorpholine

C19H31NO — CID 59545237

IUPAC(2R,6S)-4-(3-heptylphenyl)-2,6-dimethylmorpholine
SMILESCCCCCCCc1cccc(N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C19H31NO/c1-4-5-6-7-8-10-18-11-9-12-19(13-18)20-14-16(2)21-17(3)15-20/h9,11-13,16-17H,4-8,10,14-15H2,1-3H3/t16-,17+
InChIKeyXRXQXQLKRSCRPC-CALCHBBNSA-N
MW289.46 g/mol
LogP4.81
Rot. Bonds7

About (2R,6S)-4-(3-heptylphenyl)-2,6-dimethylmorpholine

(2R,6S)-4-(3-heptylphenyl)-2,6-dimethylmorpholine (PubChem CID 59545237) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is (2R,6S)-4-(3-heptylphenyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(3-heptylphenyl)-2,6-dimethylmorpholine
PubChem CID59545237
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name(2R,6S)-4-(3-heptylphenyl)-2,6-dimethylmorpholine
SMILESCCCCCCCc1cccc(N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C19H31NO/c1-4-5-6-7-8-10-18-11-9-12-19(13-18)20-14-16(2)21-17(3)15-20/h9,11-13,16-17H,4-8,10,14-15H2,1-3H3/t16-,17+
InChIKeyXRXQXQLKRSCRPC-CALCHBBNSA-N
XLogP4.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.81
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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Related Compounds

(2R,6R)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 165121156
(2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 59545911
1,3-di(tetradecyl)benzene
CID 91053224
[4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102932040
3-docosylaniline
CID 139654071
3-pentylaniline
CID 19911390
10-(3-hexylphenyl)-3,7-dimethylphenoxazine
CID 140565835
3-octacosylphenol
CID 101292719
1-iodo-3-octylbenzene
CID 134966058
3-hentriacontylphenol
CID 101292722
1-chloro-3-octylbenzene
CID 11458768
(2S,6R)-2,6-dimethyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]morpholine
CID 59546337

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(3-heptylphenyl)-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-(3-heptylphenyl)-2,6-dimethylmorpholine (CID 59545237) is (2R,6S)-4-(3-heptylphenyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-(3-heptylphenyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-(3-heptylphenyl)-2,6-dimethylmorpholine is CCCCCCCc1cccc(N2C[C@@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of (2R,6S)-4-(3-heptylphenyl)-2,6-dimethylmorpholine?
The InChIKey is XRXQXQLKRSCRPC-CALCHBBNSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-5-6-7-8-10-18-11-9-12-19(13-18)20-14-16(2)21-17(3)15-20/h9,11-13,16-17H,4-8,10,14-15H2,1-3H3/t16-,17+.
What are the key properties of (2R,6S)-4-(3-heptylphenyl)-2,6-dimethylmorpholine?
(2R,6S)-4-(3-heptylphenyl)-2,6-dimethylmorpholine has a molecular weight of 289.46 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(3-heptylphenyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 59545237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).