4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine

C14H19NO — CID 166443931

IUPAC4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine
SMILESC[C@H]1C[C@@H]1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H19NO/c1-11-10-14(11)12-2-4-13(5-3-12)15-6-8-16-9-7-15/h2-5,11,14H,6-10H2,1H3/t11-,14-/m0/s1
InChIKeyVDBLTDASMKHBNC-FZMZJTMJSA-N
MW217.31 g/mol
LogP2.65
Rot. Bonds2

About 4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine

4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine (PubChem CID 166443931) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine
PubChem CID166443931
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine
SMILESC[C@H]1C[C@@H]1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H19NO/c1-11-10-14(11)12-2-4-13(5-3-12)15-6-8-16-9-7-15/h2-5,11,14H,6-10H2,1H3/t11-,14-/m0/s1
InChIKeyVDBLTDASMKHBNC-FZMZJTMJSA-N
XLogP2.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine
CID 138973080
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine
CID 125027394
4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine
CID 173062181
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
4-[3-[4-(2-methylcyclopropyl)-2-(trifluoromethyl)phenyl]sulfanylphenyl]morpholine
CID 142106432
1-(4-morpholin-4-ylphenyl)piperidin-4-amine
CID 63180022
4-(4-ethylphenyl)morpholine
CID 20576442
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
CID 15946701
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine?
The IUPAC name of 4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine (CID 166443931) is 4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine?
The canonical SMILES for 4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine is C[C@H]1C[C@@H]1c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine?
The InChIKey is VDBLTDASMKHBNC-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-10-14(11)12-2-4-13(5-3-12)15-6-8-16-9-7-15/h2-5,11,14H,6-10H2,1H3/t11-,14-/m0/s1.
What are the key properties of 4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine?
4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine has a molecular weight of 217.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine is sourced from PubChem (CID 166443931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).