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

C15H24FNO — CID 55134646

IUPAC2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
SMILESCCCC(CNCCOC)Cc1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-3-5-14(12-17-8-9-18-2)10-13-6-4-7-15(16)11-13/h4,6-7,11,14,17H,3,5,8-10,12H2,1-2H3
InChIKeyXLMVSUKUMCPNDO-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.02
Rot. Bonds9

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

2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine (PubChem CID 55134646) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
PubChem CID55134646
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
SMILESCCCC(CNCCOC)Cc1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-3-5-14(12-17-8-9-18-2)10-13-6-4-7-15(16)11-13/h4,6-7,11,14,17H,3,5,8-10,12H2,1-2H3
InChIKeyXLMVSUKUMCPNDO-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.02
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-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 62720076
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 62718818
2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
2-[(3-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106456966
N-tert-butyl-2-[(3-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62515251
2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-methylheptan-1-amine
CID 63504029
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63503350
N-[2-[(3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528134
1-[2-(chloromethyl)pentyl]-3-fluorobenzene
CID 66034090
N-ethyl-2-[(3-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456673
2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine
CID 65178041
2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 107309735

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine (CID 55134646) is 2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine is CCCC(CNCCOC)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine?
The InChIKey is XLMVSUKUMCPNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-3-5-14(12-17-8-9-18-2)10-13-6-4-7-15(16)11-13/h4,6-7,11,14,17H,3,5,8-10,12H2,1-2H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine?
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine is sourced from PubChem (CID 55134646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).