1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol

C23H24FNO3 — CID 18204350

IUPAC1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol
SMILESCOc1ccc(N(Cc2ccccc2)CC(O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C23H24FNO3/c1-27-22-13-9-20(10-14-22)25(15-18-5-3-2-4-6-18)16-21(26)17-28-23-11-7-19(24)8-12-23/h2-14,21,26H,15-17H2,1H3
InChIKeyDPDLQQASXGXWEN-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.28
Rot. Bonds9

About 1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol

1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 18204350) has the molecular formula C23H24FNO3 and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol
PubChem CID18204350
Molecular FormulaC23H24FNO3
Molecular Weight381.45 g/mol
Exact Mass381.17
IUPAC Name1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol
SMILESCOc1ccc(N(Cc2ccccc2)CC(O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C23H24FNO3/c1-27-22-13-9-20(10-14-22)25(15-18-5-3-2-4-6-18)16-21(26)17-28-23-11-7-19(24)8-12-23/h2-14,21,26H,15-17H2,1H3
InChIKeyDPDLQQASXGXWEN-UHFFFAOYSA-N
XLogP4.28
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol
CID 3395727
(2S)-1-[4-[bis[(2R)-2-hydroxy-3-phenoxypropyl]amino]-N-[(2S)-2-hydroxy-3-phenoxypropyl]anilino]-3-phenoxypropan-2-ol
CID 99654291
1-[benzyl(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 21237741
(2R)-1-[benzyl(methyl)amino]-3-[4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 26323939
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93160592
1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717288
(2S)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 93160526
(2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
CID 93160726
1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol
CID 175691841
3-[bis[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]phenol
CID 41092609

Frequently Asked Questions

What is the IUPAC name of 1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol (CID 18204350) is 1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol is COc1ccc(N(Cc2ccccc2)CC(O)COc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is DPDLQQASXGXWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO3/c1-27-22-13-9-20(10-14-22)25(15-18-5-3-2-4-6-18)16-21(26)17-28-23-11-7-19(24)8-12-23/h2-14,21,26H,15-17H2,1H3.
What are the key properties of 1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol?
1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 381.45 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 18204350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).