N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine

C18H22FNO — CID 102990008

IUPACN-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(F)cc1Oc1ccccc1CNC(C)(C)C
InChIInChI=1S/C18H22FNO/c1-13-9-10-15(19)11-17(13)21-16-8-6-5-7-14(16)12-20-18(2,3)4/h5-11,20H,12H2,1-4H3
InChIKeyNOUMJEQIJVKNLC-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.81
Rot. Bonds4

About N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 102990008) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID102990008
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(F)cc1Oc1ccccc1CNC(C)(C)C
InChIInChI=1S/C18H22FNO/c1-13-9-10-15(19)11-17(13)21-16-8-6-5-7-14(16)12-20-18(2,3)4/h5-11,20H,12H2,1-4H3
InChIKeyNOUMJEQIJVKNLC-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550509
N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990039
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553311
2-methyl-N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075329
2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene
CID 102989965
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63069839
N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63486343
N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63552758
2-[5-fluoro-2-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102990405
2-(chloromethyl)-1-(5-fluoro-2-methylphenoxy)-4-methylbenzene
CID 114054837
N-[[2-[(5-fluoro-2-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 102986344

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 102990008) is N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine is Cc1ccc(F)cc1Oc1ccccc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is NOUMJEQIJVKNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-13-9-10-15(19)11-17(13)21-16-8-6-5-7-14(16)12-20-18(2,3)4/h5-11,20H,12H2,1-4H3.
What are the key properties of N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 102990008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).