N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine

C18H22FNO — CID 107695600

IUPACN-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1OCc1c(C)cccc1C
InChIInChI=1S/C18H22FNO/c1-4-20-11-15-10-16(19)8-9-18(15)21-12-17-13(2)6-5-7-14(17)3/h5-10,20H,4,11-12H2,1-3H3
InChIKeyKAGOVCNNLKLDLR-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.13
Rot. Bonds6

About N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine

N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine (PubChem CID 107695600) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
PubChem CID107695600
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1OCc1c(C)cccc1C
InChIInChI=1S/C18H22FNO/c1-4-20-11-15-10-16(19)8-9-18(15)21-12-17-13(2)6-5-7-14(17)3/h5-10,20H,4,11-12H2,1-3H3
InChIKeyKAGOVCNNLKLDLR-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695682
1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107701121
N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695461
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 107695622
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695728
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
N-[[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107695868
3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol
CID 107695916
[5-fluoro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 107698387
N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide
CID 107695692
N-[[5-fluoro-2-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 43314233
N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314106

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine (CID 107695600) is N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine is CCNCc1cc(F)ccc1OCc1c(C)cccc1C.
What is the InChIKey of N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine?
The InChIKey is KAGOVCNNLKLDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-20-11-15-10-16(19)8-9-18(15)21-12-17-13(2)6-5-7-14(17)3/h5-10,20H,4,11-12H2,1-3H3.
What are the key properties of N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine?
N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 107695600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).