2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine

C18H27NO — CID 117436588

IUPAC2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine
SMILESCC1(C)CCC(c2cccc(C3CNCCO3)c2)CC1
InChIInChI=1S/C18H27NO/c1-18(2)8-6-14(7-9-18)15-4-3-5-16(12-15)17-13-19-10-11-20-17/h3-5,12,14,17,19H,6-11,13H2,1-2H3
InChIKeyRRPWELSMHZKBMT-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.03
Rot. Bonds2

About 2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine

2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine (PubChem CID 117436588) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine.

Molecular Properties

Compound Name2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine
PubChem CID117436588
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine
SMILESCC1(C)CCC(c2cccc(C3CNCCO3)c2)CC1
InChIInChI=1S/C18H27NO/c1-18(2)8-6-14(7-9-18)15-4-3-5-16(12-15)17-13-19-10-11-20-17/h3-5,12,14,17,19H,6-11,13H2,1-2H3
InChIKeyRRPWELSMHZKBMT-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-methylphenyl)morpholine
CID 42182782
4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431735
2-(3-methylphenyl)morpholine;hydrochloride
CID 71398912
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
2-[3-(1,1-difluoroethyl)phenyl]morpholine
CID 117326793
azane;2-phenylmorpholine
CID 174664757
2-(3-bromo-4-cyclopropylphenyl)morpholine
CID 117453196
2-(4-piperidin-4-ylphenyl)morpholine
CID 117368630
3-[(2R)-morpholin-2-yl]benzoic acid
CID 169449190
2-[3-(3-methoxyphenyl)phenyl]morpholine
CID 82092915
2-(3,4-dimethylphenyl)morpholine
CID 43169342
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine?
The IUPAC name of 2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine (CID 117436588) is 2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine.
What is the SMILES notation for 2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine?
The canonical SMILES for 2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine is CC1(C)CCC(c2cccc(C3CNCCO3)c2)CC1.
What is the InChIKey of 2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine?
The InChIKey is RRPWELSMHZKBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2)8-6-14(7-9-18)15-4-3-5-16(12-15)17-13-19-10-11-20-17/h3-5,12,14,17,19H,6-11,13H2,1-2H3.
What are the key properties of 2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine?
2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine has a molecular weight of 273.42 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine is sourced from PubChem (CID 117436588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).