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

C14H19F2NO — CID 86825135

IUPACN-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
SMILESCN(Cc1cccc(F)c1F)CC1CCCCO1
InChIInChI=1S/C14H19F2NO/c1-17(10-12-6-2-3-8-18-12)9-11-5-4-7-13(15)14(11)16/h4-5,7,12H,2-3,6,8-10H2,1H3
InChIKeyWAUFFVYAAFQXGD-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.97
Rot. Bonds4

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

N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine (PubChem CID 86825135) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
PubChem CID86825135
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
SMILESCN(Cc1cccc(F)c1F)CC1CCCCO1
InChIInChI=1S/C14H19F2NO/c1-17(10-12-6-2-3-8-18-12)9-11-5-4-7-13(15)14(11)16/h4-5,7,12H,2-3,6,8-10H2,1H3
InChIKeyWAUFFVYAAFQXGD-UHFFFAOYSA-N
XLogP2.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 107119393
2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine
CID 42395527
3-fluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 63331273
N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine
CID 104557383
2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 112553432
1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61431968
2-[(2-fluorophenyl)methyl]oxane
CID 20724373
8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one
CID 97152797
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86911707
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62469789
3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469581

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine (CID 86825135) is N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine is CN(Cc1cccc(F)c1F)CC1CCCCO1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The InChIKey is WAUFFVYAAFQXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-17(10-12-6-2-3-8-18-12)9-11-5-4-7-13(15)14(11)16/h4-5,7,12H,2-3,6,8-10H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine has a molecular weight of 255.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 86825135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).