1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine

C15H23FN2O — CID 107521307

IUPAC1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
SMILESCN(CC1CCOCC1)CC(N)c1cccc(F)c1
InChIInChI=1S/C15H23FN2O/c1-18(10-12-5-7-19-8-6-12)11-15(17)13-3-2-4-14(16)9-13/h2-4,9,12,15H,5-8,10-11,17H2,1H3
InChIKeyCSFDCFXLYFMBAJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.18
Rot. Bonds5

About 1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine

1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine (PubChem CID 107521307) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
PubChem CID107521307
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
SMILESCN(CC1CCOCC1)CC(N)c1cccc(F)c1
InChIInChI=1S/C15H23FN2O/c1-18(10-12-5-7-19-8-6-12)11-15(17)13-3-2-4-14(16)9-13/h2-4,9,12,15H,5-8,10-11,17H2,1H3
InChIKeyCSFDCFXLYFMBAJ-UHFFFAOYSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131637584
1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 107521321
1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol
CID 63725224
1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 107521878
1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 55066001
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62862003
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)ethanamine
CID 107520322
1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 107521298
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
(S)-(3-fluorophenyl)-(oxan-4-yl)methanamine
CID 95255362
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine
CID 62643133

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine (CID 107521307) is 1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine is CN(CC1CCOCC1)CC(N)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is CSFDCFXLYFMBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-18(10-12-5-7-19-8-6-12)11-15(17)13-3-2-4-14(16)9-13/h2-4,9,12,15H,5-8,10-11,17H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine?
1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 266.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 107521307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).