N-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine

C19H24FNO — CID 39425418

IUPACN-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine
SMILESCC(C)(C)c1ccc(CNCCOc2cccc(F)c2)cc1
InChIInChI=1S/C19H24FNO/c1-19(2,3)16-9-7-15(8-10-16)14-21-11-12-22-18-6-4-5-17(20)13-18/h4-10,13,21H,11-12,14H2,1-3H3
InChIKeyBTXHEJHBMDKLGE-UHFFFAOYSA-N
MW301.40 g/mol
LogP4.29
Rot. Bonds6

About N-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine

N-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine (PubChem CID 39425418) has the molecular formula C19H24FNO and a molecular weight of 301.40 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine
PubChem CID39425418
Molecular FormulaC19H24FNO
Molecular Weight301.40 g/mol
Exact Mass301.18
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine
SMILESCC(C)(C)c1ccc(CNCCOc2cccc(F)c2)cc1
InChIInChI=1S/C19H24FNO/c1-19(2,3)16-9-7-15(8-10-16)14-21-11-12-22-18-6-4-5-17(20)13-18/h4-10,13,21H,11-12,14H2,1-3H3
InChIKeyBTXHEJHBMDKLGE-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

N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine
CID 39425420
2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine
CID 39360189
2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39454639
1-(4-tert-butylphenyl)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]methanamine
CID 54804575
N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63072700
1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54804574
N-benzyl-2-(4-tert-butylphenoxy)ethanamine;oxalic acid
CID 2934321
1-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 59667496
2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 62571065
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
N-[2-(3-bromophenoxy)ethyl]-4-tert-butylaniline
CID 63490147
N-benzyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;oxalic acid
CID 16614040

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine (CID 39425418) is N-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine is CC(C)(C)c1ccc(CNCCOc2cccc(F)c2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine?
The InChIKey is BTXHEJHBMDKLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO/c1-19(2,3)16-9-7-15(8-10-16)14-21-11-12-22-18-6-4-5-17(20)13-18/h4-10,13,21H,11-12,14H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine?
N-[(4-tert-butylphenyl)methyl]-2-(3-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-(3-fluorophenoxy)ethanamine is sourced from PubChem (CID 39425418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).