2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine

C14H22FNO2 — CID 103984662

IUPAC2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(COC)Cc1ccccc1F
InChIInChI=1S/C14H22FNO2/c1-17-8-7-16-10-12(11-18-2)9-13-5-3-4-6-14(13)15/h3-6,12,16H,7-11H2,1-2H3
InChIKeyPXXYLQQISDOQAN-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.87
Rot. Bonds9

About 2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine

2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine (PubChem CID 103984662) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
PubChem CID103984662
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(COC)Cc1ccccc1F
InChIInChI=1S/C14H22FNO2/c1-17-8-7-16-10-12(11-18-2)9-13-5-3-4-6-14(13)15/h3-6,12,16H,7-11H2,1-2H3
InChIKeyPXXYLQQISDOQAN-UHFFFAOYSA-N
XLogP1.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.87
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

2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine
CID 63502143
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine
CID 62717744
2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
CID 113361847
2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984660
2-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 115984227
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 103984391
2-[(4-chlorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984648
N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410575
2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 62718705
2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine
CID 62725841
2-[(2-fluorophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine
CID 115943381

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine (CID 103984662) is 2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine is COCCNCC(COC)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is PXXYLQQISDOQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-17-8-7-16-10-12(11-18-2)9-13-5-3-4-6-14(13)15/h3-6,12,16H,7-11H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 255.33 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 103984662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).