1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine

C18H22FNO — CID 43282865

IUPAC1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cc(C)ccc2C(C)C)c(F)c1
InChIInChI=1S/C18H22FNO/c1-12(2)15-7-5-13(3)9-18(15)21-17-8-6-14(11-20-4)10-16(17)19/h5-10,12,20H,11H2,1-4H3
InChIKeyDCOXQCWMLZMOCM-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.77
Rot. Bonds5

About 1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine

1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine (PubChem CID 43282865) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine
PubChem CID43282865
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cc(C)ccc2C(C)C)c(F)c1
InChIInChI=1S/C18H22FNO/c1-12(2)15-7-5-13(3)9-18(15)21-17-8-6-14(11-20-4)10-16(17)19/h5-10,12,20H,11H2,1-4H3
InChIKeyDCOXQCWMLZMOCM-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)benzonitrile
CID 43657438
1-[3-fluoro-4-(2,4,5-trichlorophenoxy)phenyl]-N-methylmethanamine
CID 43282453
N-[[4-(2-chloro-5-methylphenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 43283818
1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283411
1-(4-fluoro-3-propan-2-ylphenyl)-N-methylmethanamine
CID 63887333
5-(chloromethyl)-1,3-difluoro-2-(5-methyl-2-propan-2-ylphenoxy)benzene
CID 63567841
3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarbothioamide
CID 43658038
1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43622080
1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 55112432
1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114674328
N-[[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]methyl]ethanamine
CID 43282260
2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene
CID 64856384

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine (CID 43282865) is 1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine is CNCc1ccc(Oc2cc(C)ccc2C(C)C)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is DCOXQCWMLZMOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12(2)15-7-5-13(3)9-18(15)21-17-8-6-14(11-20-4)10-16(17)19/h5-10,12,20H,11H2,1-4H3.
What are the key properties of 1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine?
1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 43282865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).