4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine

C12H15FINO — CID 146419337

IUPAC4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine
SMILESCc1c(F)cc(I)cc1CN1CCOCC1
InChIInChI=1S/C12H15FINO/c1-9-10(6-11(14)7-12(9)13)8-15-2-4-16-5-3-15/h6-7H,2-5,8H2,1H3
InChIKeySWJKKTREJUXDKQ-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.57
Rot. Bonds2

About 4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine

4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine (PubChem CID 146419337) has the molecular formula C12H15FINO and a molecular weight of 335.16 g/mol. Its IUPAC name is 4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine
PubChem CID146419337
Molecular FormulaC12H15FINO
Molecular Weight335.16 g/mol
Exact Mass335.02
IUPAC Name4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine
SMILESCc1c(F)cc(I)cc1CN1CCOCC1
InChIInChI=1S/C12H15FINO/c1-9-10(6-11(14)7-12(9)13)8-15-2-4-16-5-3-15/h6-7H,2-5,8H2,1H3
InChIKeySWJKKTREJUXDKQ-UHFFFAOYSA-N
XLogP2.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline
CID 177223296
4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
CID 178059917
2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
CID 90293198
4-[(5-fluoro-2-iodophenyl)methyl]morpholine
CID 154827579
4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine
CID 59543863
1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine
CID 84788709
2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-methylpropan-1-ol
CID 117422004
4-methyl-2,6-bis(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenol
CID 10462009
4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275
3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine
CID 23441207
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol
CID 60526509

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine?
The IUPAC name of 4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine (CID 146419337) is 4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine.
What is the SMILES notation for 4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine?
The canonical SMILES for 4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine is Cc1c(F)cc(I)cc1CN1CCOCC1.
What is the InChIKey of 4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine?
The InChIKey is SWJKKTREJUXDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FINO/c1-9-10(6-11(14)7-12(9)13)8-15-2-4-16-5-3-15/h6-7H,2-5,8H2,1H3.
What are the key properties of 4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine?
4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine has a molecular weight of 335.16 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine is sourced from PubChem (CID 146419337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).