N-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine

C16H18FNO — CID 63936379

IUPACN-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine
SMILESFc1ccccc1COCCNCc1ccccc1
InChIInChI=1S/C16H18FNO/c17-16-9-5-4-8-15(16)13-19-11-10-18-12-14-6-2-1-3-7-14/h1-9,18H,10-13H2
InChIKeyYSEVLTRFLJMQRB-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.13
Rot. Bonds7

About N-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine

N-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine (PubChem CID 63936379) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine
PubChem CID63936379
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine
SMILESFc1ccccc1COCCNCc1ccccc1
InChIInChI=1S/C16H18FNO/c17-16-9-5-4-8-15(16)13-19-11-10-18-12-14-6-2-1-3-7-14/h1-9,18H,10-13H2
InChIKeyYSEVLTRFLJMQRB-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.13
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

N-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine
CID 82353872
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295917
2-[2-(benzylamino)ethoxy]-N-ethylethanamine
CID 18338934
N-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine
CID 63937396
N-benzyl-2-(furan-2-ylmethoxy)ethanamine
CID 62564992
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295925
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine
CID 107307020
N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine
CID 82353063
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine?
The IUPAC name of N-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine (CID 63936379) is N-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine.
What is the SMILES notation for N-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine?
The canonical SMILES for N-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine is Fc1ccccc1COCCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine?
The InChIKey is YSEVLTRFLJMQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c17-16-9-5-4-8-15(16)13-19-11-10-18-12-14-6-2-1-3-7-14/h1-9,18H,10-13H2.
What are the key properties of N-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine?
N-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine is sourced from PubChem (CID 63936379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).