2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine

C13H18ClNO2 — CID 81213549

IUPAC2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
SMILESCOc1cccc(CN2CCOC(CCl)C2)c1
InChIInChI=1S/C13H18ClNO2/c1-16-12-4-2-3-11(7-12)9-15-5-6-17-13(8-14)10-15/h2-4,7,13H,5-6,8-10H2,1H3
InChIKeyBJUQDLZACCBDCB-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.13
Rot. Bonds4

About 2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine

2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine (PubChem CID 81213549) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
PubChem CID81213549
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
SMILESCOc1cccc(CN2CCOC(CCl)C2)c1
InChIInChI=1S/C13H18ClNO2/c1-16-12-4-2-3-11(7-12)9-15-5-6-17-13(8-14)10-15/h2-4,7,13H,5-6,8-10H2,1H3
InChIKeyBJUQDLZACCBDCB-UHFFFAOYSA-N
XLogP2.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine
CID 81213684
5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole
CID 45232008
2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
CID 45237658
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56867304
cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone
CID 99786810
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
CID 95550670
4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56873494
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
CID 102604207
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95525046
2-benzyl-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155875929

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine?
The IUPAC name of 2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine (CID 81213549) is 2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine?
The canonical SMILES for 2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine is COc1cccc(CN2CCOC(CCl)C2)c1.
What is the InChIKey of 2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine?
The InChIKey is BJUQDLZACCBDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-16-12-4-2-3-11(7-12)9-15-5-6-17-13(8-14)10-15/h2-4,7,13H,5-6,8-10H2,1H3.
What are the key properties of 2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine?
2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine has a molecular weight of 255.74 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 81213549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).