N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine

C18H22FNO — CID 43314145

IUPACN-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1Oc1cccc(C(C)C)c1
InChIInChI=1S/C18H22FNO/c1-4-20-12-15-10-16(19)8-9-18(15)21-17-7-5-6-14(11-17)13(2)3/h5-11,13,20H,4,12H2,1-3H3
InChIKeyZKBXZQDCHXICCC-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.85
Rot. Bonds6

About N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine

N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine (PubChem CID 43314145) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
PubChem CID43314145
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1Oc1cccc(C(C)C)c1
InChIInChI=1S/C18H22FNO/c1-4-20-12-15-10-16(19)8-9-18(15)21-17-7-5-6-14(11-17)13(2)3/h5-11,13,20H,4,12H2,1-3H3
InChIKeyZKBXZQDCHXICCC-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 61229881
N-[[5-fluoro-2-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 43314233
N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 43282741
N-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 43282754
N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314185
N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314106
N-[[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 83141064
N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine
CID 43314159
N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 62073087
N-[[5-fluoro-2-(2,4,5-trichlorophenoxy)phenyl]methyl]ethanamine
CID 43314088
4-chloro-2-(chloromethyl)-1-(3-propan-2-ylphenoxy)benzene
CID 114846940
1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314250

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine (CID 43314145) is N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine is CCNCc1cc(F)ccc1Oc1cccc(C(C)C)c1.
What is the InChIKey of N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine?
The InChIKey is ZKBXZQDCHXICCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-20-12-15-10-16(19)8-9-18(15)21-17-7-5-6-14(11-17)13(2)3/h5-11,13,20H,4,12H2,1-3H3.
What are the key properties of N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine?
N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43314145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).