2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine

C18H30FNO — CID 63502143

IUPAC2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine
SMILESCCCCCCC(CNCCOC)Cc1ccccc1F
InChIInChI=1S/C18H30FNO/c1-3-4-5-6-9-16(15-20-12-13-21-2)14-17-10-7-8-11-18(17)19/h7-8,10-11,16,20H,3-6,9,12-15H2,1-2H3
InChIKeyDXLVKZPZGXHUKD-UHFFFAOYSA-N
MW295.44 g/mol
LogP4.19
Rot. Bonds12

About 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine

2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine (PubChem CID 63502143) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine
PubChem CID63502143
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Name2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine
SMILESCCCCCCC(CNCCOC)Cc1ccccc1F
InChIInChI=1S/C18H30FNO/c1-3-4-5-6-9-16(15-20-12-13-21-2)14-17-10-7-8-11-18(17)19/h7-8,10-11,16,20H,3-6,9,12-15H2,1-2H3
InChIKeyDXLVKZPZGXHUKD-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984662
2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine
CID 62717744
2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 62718705
2-[(2-fluorophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine
CID 115943381
5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine
CID 55083208
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine
CID 63503519
N-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine
CID 104649264
2-[(2-chlorophenyl)methyl]-N-propylnonan-1-amine
CID 63520885
N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
CID 83148264
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 55083352

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine (CID 63502143) is 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine is CCCCCCC(CNCCOC)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine?
The InChIKey is DXLVKZPZGXHUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-3-4-5-6-9-16(15-20-12-13-21-2)14-17-10-7-8-11-18(17)19/h7-8,10-11,16,20H,3-6,9,12-15H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine?
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine has a molecular weight of 295.44 g/mol, XLogP of 4.19, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine is sourced from PubChem (CID 63502143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).