N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine

C19H24FNO — CID 39425420

IUPACN-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine
SMILESCC(C)(C)c1ccc(CNCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FNO/c1-19(2,3)16-6-4-15(5-7-16)14-21-12-13-22-18-10-8-17(20)9-11-18/h4-11,21H,12-14H2,1-3H3
InChIKeyYBPXAUOLOGOKQS-UHFFFAOYSA-N
MW301.40 g/mol
LogP4.29
Rot. Bonds6

About N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine

N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine (PubChem CID 39425420) has the molecular formula C19H24FNO and a molecular weight of 301.40 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine
PubChem CID39425420
Molecular FormulaC19H24FNO
Molecular Weight301.40 g/mol
Exact Mass301.18
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine
SMILESCC(C)(C)c1ccc(CNCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FNO/c1-19(2,3)16-6-4-15(5-7-16)14-21-12-13-22-18-10-8-17(20)9-11-18/h4-11,21H,12-14H2,1-3H3
InChIKeyYBPXAUOLOGOKQS-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39454639
N-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine
CID 39425418
N-benzyl-2-(4-tert-butylphenoxy)ethanamine;oxalic acid
CID 2934321
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62453982
2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 61171818
4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 79360226
2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39392014
N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine
CID 22368875
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39362846
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 60685910

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine (CID 39425420) is N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine is CC(C)(C)c1ccc(CNCCOc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine?
The InChIKey is YBPXAUOLOGOKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO/c1-19(2,3)16-6-4-15(5-7-16)14-21-12-13-22-18-10-8-17(20)9-11-18/h4-11,21H,12-14H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine?
N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine has a molecular weight of 301.40 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine is sourced from PubChem (CID 39425420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).