1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol

C20H26FNO3 — CID 24712860

IUPAC1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol
SMILESCOCCN(Cc1ccccc1F)CC(O)COCc1ccccc1
InChIInChI=1S/C20H26FNO3/c1-24-12-11-22(13-18-9-5-6-10-20(18)21)14-19(23)16-25-15-17-7-3-2-4-8-17/h2-10,19,23H,11-16H2,1H3
InChIKeyBDCZJDKVBZGHRT-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.85
Rot. Bonds11

About 1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol

1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol (PubChem CID 24712860) has the molecular formula C20H26FNO3 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol
PubChem CID24712860
Molecular FormulaC20H26FNO3
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol
SMILESCOCCN(Cc1ccccc1F)CC(O)COCc1ccccc1
InChIInChI=1S/C20H26FNO3/c1-24-12-11-22(13-18-9-5-6-10-20(18)21)14-19(23)16-25-15-17-7-3-2-4-8-17/h2-10,19,23H,11-16H2,1H3
InChIKeyBDCZJDKVBZGHRT-UHFFFAOYSA-N
XLogP2.85
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 16236854
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CID 16237309
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CID 16238906
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CID 16807026
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CID 155765665
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CID 3959151
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CID 4316674
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CID 11485203
CID 11485203
CID 44427649
CID 44427649

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol (CID 24712860) is 1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol is COCCN(Cc1ccccc1F)CC(O)COCc1ccccc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is BDCZJDKVBZGHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO3/c1-24-12-11-22(13-18-9-5-6-10-20(18)21)14-19(23)16-25-15-17-7-3-2-4-8-17/h2-10,19,23H,11-16H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol?
1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 347.43 g/mol, XLogP of 2.85, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 24712860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).