2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine

C15H24FNO — CID 62720076

IUPAC2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
SMILESCCCC(CNCCOC)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FNO/c1-3-4-14(12-17-9-10-18-2)11-13-5-7-15(16)8-6-13/h5-8,14,17H,3-4,9-12H2,1-2H3
InChIKeyDXGOIVUPNSRMSW-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.02
Rot. Bonds9

About 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine

2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine (PubChem CID 62720076) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
PubChem CID62720076
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
SMILESCCCC(CNCCOC)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FNO/c1-3-4-14(12-17-9-10-18-2)11-13-5-7-15(16)8-6-13/h5-8,14,17H,3-4,9-12H2,1-2H3
InChIKeyDXGOIVUPNSRMSW-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]-6-methoxy-N-propylhexan-1-amine
CID 104649200
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63503350
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 55134646
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62516080
2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine
CID 63503519
N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine
CID 62718541
2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 104819419
2-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 62718813
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
N-(2-methoxyethyl)-2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62719047
2-[(4-chlorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984648

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine (CID 62720076) is 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine is CCCC(CNCCOC)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine?
The InChIKey is DXGOIVUPNSRMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-3-4-14(12-17-9-10-18-2)11-13-5-7-15(16)8-6-13/h5-8,14,17H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine?
2-[(4-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-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine is sourced from PubChem (CID 62720076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).