N-[2-[4-[3-fluoro-4-(4-propylphenyl)phenyl]phenoxy]ethyl]-2-methoxyethanamine

C26H30FNO2 — CID 66828995

IUPACN-[2-[4-[3-fluoro-4-(4-propylphenyl)phenyl]phenoxy]ethyl]-2-methoxyethanamine
SMILESCCCc1ccc(-c2ccc(-c3ccc(OCCNCCOC)cc3)cc2F)cc1
InChIInChI=1S/C26H30FNO2/c1-3-4-20-5-7-22(8-6-20)25-14-11-23(19-26(25)27)21-9-12-24(13-10-21)30-18-16-28-15-17-29-2/h5-14,19,28H,3-4,15-18H2,1-2H3
InChIKeyWUDQDLQUGOMFDW-UHFFFAOYSA-N
MW407.53 g/mol
LogP5.73
Rot. Bonds11

About N-[2-[4-[3-fluoro-4-(4-propylphenyl)phenyl]phenoxy]ethyl]-2-methoxyethanamine

N-[2-[4-[3-fluoro-4-(4-propylphenyl)phenyl]phenoxy]ethyl]-2-methoxyethanamine (PubChem CID 66828995) has the molecular formula C26H30FNO2 and a molecular weight of 407.53 g/mol. Its IUPAC name is N-[2-[4-[3-fluoro-4-(4-propylphenyl)phenyl]phenoxy]ethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[2-[4-[3-fluoro-4-(4-propylphenyl)phenyl]phenoxy]ethyl]-2-methoxyethanamine
PubChem CID66828995
Molecular FormulaC26H30FNO2
Molecular Weight407.53 g/mol
Exact Mass407.23
IUPAC NameN-[2-[4-[3-fluoro-4-(4-propylphenyl)phenyl]phenoxy]ethyl]-2-methoxyethanamine
SMILESCCCc1ccc(-c2ccc(-c3ccc(OCCNCCOC)cc3)cc2F)cc1
InChIInChI=1S/C26H30FNO2/c1-3-4-20-5-7-22(8-6-20)25-14-11-23(19-26(25)27)21-9-12-24(13-10-21)30-18-16-28-15-17-29-2/h5-14,19,28H,3-4,15-18H2,1-2H3
InChIKeyWUDQDLQUGOMFDW-UHFFFAOYSA-N
XLogP5.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210
4-[2-(4-butoxyphenyl)ethynyl]-2-fluoro-1-(4-propylphenyl)benzene
CID 67865378
2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 19107873
methyl 4-[2-fluoro-4-(4-propylphenyl)phenyl]benzoate
CID 142331656
2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
1-(4-butoxyphenyl)-2-fluoro-4-pentylbenzene
CID 67842431
2-fluoro-4-[5-[3-fluoro-4-(4-propylphenyl)phenoxy]-3-(trifluoromethyl)pentoxy]-1-(4-propylphenyl)benzene
CID 134273664
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313
fluoromethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 161382729
N-[2-(4-propylphenoxy)ethyl]pentan-1-amine
CID 63515764
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-fluoro-4-(4-propylphenyl)phenyl]phenoxy]ethyl]-2-methoxyethanamine?
The IUPAC name of N-[2-[4-[3-fluoro-4-(4-propylphenyl)phenyl]phenoxy]ethyl]-2-methoxyethanamine (CID 66828995) is N-[2-[4-[3-fluoro-4-(4-propylphenyl)phenyl]phenoxy]ethyl]-2-methoxyethanamine.
What is the SMILES notation for N-[2-[4-[3-fluoro-4-(4-propylphenyl)phenyl]phenoxy]ethyl]-2-methoxyethanamine?
The canonical SMILES for N-[2-[4-[3-fluoro-4-(4-propylphenyl)phenyl]phenoxy]ethyl]-2-methoxyethanamine is CCCc1ccc(-c2ccc(-c3ccc(OCCNCCOC)cc3)cc2F)cc1.
What is the InChIKey of N-[2-[4-[3-fluoro-4-(4-propylphenyl)phenyl]phenoxy]ethyl]-2-methoxyethanamine?
The InChIKey is WUDQDLQUGOMFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FNO2/c1-3-4-20-5-7-22(8-6-20)25-14-11-23(19-26(25)27)21-9-12-24(13-10-21)30-18-16-28-15-17-29-2/h5-14,19,28H,3-4,15-18H2,1-2H3.
What are the key properties of N-[2-[4-[3-fluoro-4-(4-propylphenyl)phenyl]phenoxy]ethyl]-2-methoxyethanamine?
N-[2-[4-[3-fluoro-4-(4-propylphenyl)phenyl]phenoxy]ethyl]-2-methoxyethanamine has a molecular weight of 407.53 g/mol, XLogP of 5.73, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-fluoro-4-(4-propylphenyl)phenyl]phenoxy]ethyl]-2-methoxyethanamine is sourced from PubChem (CID 66828995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).