N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride

C10H15ClFNO — CID 17294446

IUPACN-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCOCCNCc1ccccc1F.Cl
InChIInChI=1S/C10H14FNO.ClH/c1-13-7-6-12-8-9-4-2-3-5-10(9)11;/h2-5,12H,6-8H2,1H3;1H
InChIKeyFCUZEZPCYFGCGZ-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.98
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride

N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride (PubChem CID 17294446) has the molecular formula C10H15ClFNO and a molecular weight of 219.69 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
PubChem CID17294446
Molecular FormulaC10H15ClFNO
Molecular Weight219.69 g/mol
Exact Mass219.08
IUPAC NameN-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCOCCNCc1ccccc1F.Cl
InChIInChI=1S/C10H14FNO.ClH/c1-13-7-6-12-8-9-4-2-3-5-10(9)11;/h2-5,12H,6-8H2,1H3;1H
InChIKeyFCUZEZPCYFGCGZ-UHFFFAOYSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.98
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'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410575
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 4720382
N'-[(2-bromo-3-fluorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405507
N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63070603
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
N'-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410553
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
CID 112610838
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 109015344
1-(2-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 82712660
N-[(2,3-difluorophenyl)methyl]-3-methoxypropan-1-amine
CID 43234451
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 156595577

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride (CID 17294446) is N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride is COCCNCc1ccccc1F.Cl.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride?
The InChIKey is FCUZEZPCYFGCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO.ClH/c1-13-7-6-12-8-9-4-2-3-5-10(9)11;/h2-5,12H,6-8H2,1H3;1H.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride?
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride has a molecular weight of 219.69 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride is sourced from PubChem (CID 17294446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).