2-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-phenylethanol

C18H22FNO2 — CID 24713602

IUPAC2-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-phenylethanol
SMILESCOCCN(Cc1ccc(F)cc1)CC(O)c1ccccc1
InChIInChI=1S/C18H22FNO2/c1-22-12-11-20(13-15-7-9-17(19)10-8-15)14-18(21)16-5-3-2-4-6-16/h2-10,18,21H,11-14H2,1H3
InChIKeyGGFOMICDPBUAGP-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.01
Rot. Bonds8

About 2-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-phenylethanol

2-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-phenylethanol (PubChem CID 24713602) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-phenylethanol
PubChem CID24713602
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name2-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-phenylethanol
SMILESCOCCN(Cc1ccc(F)cc1)CC(O)c1ccccc1
InChIInChI=1S/C18H22FNO2/c1-22-12-11-20(13-15-7-9-17(19)10-8-15)14-18(21)16-5-3-2-4-6-16/h2-10,18,21H,11-14H2,1H3
InChIKeyGGFOMICDPBUAGP-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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2-(Benzylamino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
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2-(Benzylamino)-1-phenylethanol
CID 229746
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-phenylethanol?
The IUPAC name of 2-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-phenylethanol (CID 24713602) is 2-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-phenylethanol is COCCN(Cc1ccc(F)cc1)CC(O)c1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-phenylethanol?
The InChIKey is GGFOMICDPBUAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-22-12-11-20(13-15-7-9-17(19)10-8-15)14-18(21)16-5-3-2-4-6-16/h2-10,18,21H,11-14H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-phenylethanol?
2-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-phenylethanol has a molecular weight of 303.38 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-phenylethanol is sourced from PubChem (CID 24713602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).