1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol

C18H22FNO2 — CID 3395727

IUPAC1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol
SMILESCCN(Cc1ccccc1)CC(O)COc1ccc(F)cc1
InChIInChI=1S/C18H22FNO2/c1-2-20(12-15-6-4-3-5-7-15)13-17(21)14-22-18-10-8-16(19)9-11-18/h3-11,17,21H,2,12-14H2,1H3
InChIKeyZZOZLKXQFLFSQC-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.09
Rot. Bonds8

About 1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol

1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 3395727) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol
PubChem CID3395727
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol
SMILESCCN(Cc1ccccc1)CC(O)COc1ccc(F)cc1
InChIInChI=1S/C18H22FNO2/c1-2-20(12-15-6-4-3-5-7-15)13-17(21)14-22-18-10-8-16(19)9-11-18/h3-11,17,21H,2,12-14H2,1H3
InChIKeyZZOZLKXQFLFSQC-UHFFFAOYSA-N
XLogP3.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 7157614
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
(2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
CID 93160726
1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 18204350
(2R)-1-[benzyl(methyl)amino]-3-[4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 26323939
(2R)-1-[benzyl-[(2,4-difluorophenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93164801
6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one
CID 10316012
1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 55361614
1-[benzyl(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 21237741
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93160592
(2S)-1-[benzyl(2-methylpropyl)amino]-3-(4-chlorophenoxy)propan-2-ol
CID 93161416
1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717288

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol (CID 3395727) is 1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol is CCN(Cc1ccccc1)CC(O)COc1ccc(F)cc1.
What is the InChIKey of 1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is ZZOZLKXQFLFSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-2-20(12-15-6-4-3-5-7-15)13-17(21)14-22-18-10-8-16(19)9-11-18/h3-11,17,21H,2,12-14H2,1H3.
What are the key properties of 1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol?
1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 303.38 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 3395727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).