1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine

C18H22FNO — CID 43314125

IUPAC1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Oc1ccccc1C(C)(C)C
InChIInChI=1S/C18H22FNO/c1-18(2,3)15-7-5-6-8-17(15)21-16-10-9-14(19)11-13(16)12-20-4/h5-11,20H,12H2,1-4H3
InChIKeyKFRLCSLQFSUXBP-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.63
Rot. Bonds4

About 1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine

1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 43314125) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
PubChem CID43314125
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Oc1ccccc1C(C)(C)C
InChIInChI=1S/C18H22FNO/c1-18(2,3)15-7-5-6-8-17(15)21-16-10-9-14(19)11-13(16)12-20-4/h5-11,20H,12H2,1-4H3
InChIKeyKFRLCSLQFSUXBP-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

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Related Compounds

1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 43314262
N-methyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 43282524
2-(2-tert-butylphenoxy)-5-fluorobenzonitrile
CID 63668027
1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075212
1-(5-fluoro-2-quinolin-8-yloxyphenyl)-N-methylmethanamine
CID 43314311
1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43589963
1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 114674362
1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43622050
1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314250
2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene
CID 64765519
1-(5-fluoro-2-quinolin-5-yloxyphenyl)-N-methylmethanamine
CID 103045289
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 65201228

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine (CID 43314125) is 1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine is CNCc1cc(F)ccc1Oc1ccccc1C(C)(C)C.
What is the InChIKey of 1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is KFRLCSLQFSUXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-18(2,3)15-7-5-6-8-17(15)21-16-10-9-14(19)11-13(16)12-20-4/h5-11,20H,12H2,1-4H3.
What are the key properties of 1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
1-[2-(2-tert-butylphenoxy)-5-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-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 43314125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).