N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine

C18H22FNO — CID 43314137

IUPACN-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
SMILESCc1ccc(Oc2ccc(F)cc2CNC(C)C)c(C)c1
InChIInChI=1S/C18H22FNO/c1-12(2)20-11-15-10-16(19)6-8-18(15)21-17-7-5-13(3)9-14(17)4/h5-10,12,20H,11H2,1-4H3
InChIKeyUMCUHZCRSHZKFR-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.73
Rot. Bonds5

About N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine

N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine (PubChem CID 43314137) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
PubChem CID43314137
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
SMILESCc1ccc(Oc2ccc(F)cc2CNC(C)C)c(C)c1
InChIInChI=1S/C18H22FNO/c1-12(2)20-11-15-10-16(19)6-8-18(15)21-17-7-5-13(3)9-14(17)4/h5-10,12,20H,11H2,1-4H3
InChIKeyUMCUHZCRSHZKFR-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-bromo-4-methylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314300
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)phenyl]methyl]propan-2-amine
CID 114857479
N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552724
N-[[2-(3,5-dichlorophenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43622055
N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105406580
1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine
CID 43285318
N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine
CID 43314159
N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43282598
N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550934
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 62134908
1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 107696197

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine (CID 43314137) is N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine is Cc1ccc(Oc2ccc(F)cc2CNC(C)C)c(C)c1.
What is the InChIKey of N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine?
The InChIKey is UMCUHZCRSHZKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12(2)20-11-15-10-16(19)6-8-18(15)21-17-7-5-13(3)9-14(17)4/h5-10,12,20H,11H2,1-4H3.
What are the key properties of N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine?
N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 43314137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).