1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine

C18H22FNO — CID 43283755

IUPAC1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cccc(C(C)(C)C)c2)c(F)c1
InChIInChI=1S/C18H22FNO/c1-18(2,3)14-6-5-7-15(11-14)21-17-9-8-13(12-20-4)10-16(17)19/h5-11,20H,12H2,1-4H3
InChIKeyWKLZAYUQPAUQSK-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.63
Rot. Bonds4

About 1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine

1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine (PubChem CID 43283755) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine
PubChem CID43283755
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cccc(C(C)(C)C)c2)c(F)c1
InChIInChI=1S/C18H22FNO/c1-18(2,3)14-6-5-7-15(11-14)21-17-9-8-13(12-20-4)10-16(17)19/h5-11,20H,12H2,1-4H3
InChIKeyWKLZAYUQPAUQSK-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine 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

1-[3-(3-tert-butylphenoxy)phenyl]-N-methylmethanamine
CID 63942522
1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine
CID 63942716
1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 55112432
1-[2-(3-tert-butylphenoxy)-5-chlorophenyl]-N-methylmethanamine
CID 114856226
1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43622080
N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63552934
1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62324004
N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283333
N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43283217
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine
CID 43283689
1-[3-fluoro-4-(2,4,5-trichlorophenoxy)phenyl]-N-methylmethanamine
CID 43282453
N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine
CID 43283192

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine (CID 43283755) is 1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine is CNCc1ccc(Oc2cccc(C(C)(C)C)c2)c(F)c1.
What is the InChIKey of 1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine?
The InChIKey is WKLZAYUQPAUQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-18(2,3)14-6-5-7-15(11-14)21-17-9-8-13(12-20-4)10-16(17)19/h5-11,20H,12H2,1-4H3.
What are the key properties of 1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine?
1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 43283755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).