N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine

C12H15F2NO — CID 60920891

IUPACN-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
SMILESFc1ccc(CNCC2CCOC2)c(F)c1
InChIInChI=1S/C12H15F2NO/c13-11-2-1-10(12(14)5-11)7-15-6-9-3-4-16-8-9/h1-2,5,9,15H,3-4,6-8H2
InChIKeyCMEQDQMRJGGGTN-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.09
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine

N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 60920891) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
PubChem CID60920891
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
SMILESFc1ccc(CNCC2CCOC2)c(F)c1
InChIInChI=1S/C12H15F2NO/c13-11-2-1-10(12(14)5-11)7-15-6-9-3-4-16-8-9/h1-2,5,9,15H,3-4,6-8H2
InChIKeyCMEQDQMRJGGGTN-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[(oxolan-3-ylmethylamino)methyl]aniline
CID 107796628
N-[(2-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 61040054
N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 62134262
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 79707069
2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112606580
4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol
CID 103948383
N-[(2,5-dichlorophenyl)methyl]-1-[(3S)-oxolan-3-yl]methanamine
CID 96982783
2,5-difluoro-N-(oxolan-3-ylmethyl)aniline
CID 43192592
1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine
CID 103986773
1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one
CID 103986233
1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60921002

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine (CID 60920891) is N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine is Fc1ccc(CNCC2CCOC2)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is CMEQDQMRJGGGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-11-2-1-10(12(14)5-11)7-15-6-9-3-4-16-8-9/h1-2,5,9,15H,3-4,6-8H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine?
N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 227.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 60920891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).