1-(4-fluorophenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride

C17H19ClFNO — CID 2979681

IUPAC1-(4-fluorophenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride
SMILESC=CCOc1ccccc1CNCc1ccc(F)cc1.Cl
InChIInChI=1S/C17H18FNO.ClH/c1-2-11-20-17-6-4-3-5-15(17)13-19-12-14-7-9-16(18)10-8-14;/h2-10,19H,1,11-13H2;1H
InChIKeyYSUZFXFRAXDLKX-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.10
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride

1-(4-fluorophenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride (PubChem CID 2979681) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride
PubChem CID2979681
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-(4-fluorophenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride
SMILESC=CCOc1ccccc1CNCc1ccc(F)cc1.Cl
InChIInChI=1S/C17H18FNO.ClH/c1-2-11-20-17-6-4-3-5-15(17)13-19-12-14-7-9-16(18)10-8-14;/h2-10,19H,1,11-13H2;1H
InChIKeyYSUZFXFRAXDLKX-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride (CID 2979681) is 1-(4-fluorophenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride is C=CCOc1ccccc1CNCc1ccc(F)cc1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride?
The InChIKey is YSUZFXFRAXDLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO.ClH/c1-2-11-20-17-6-4-3-5-15(17)13-19-12-14-7-9-16(18)10-8-14;/h2-10,19H,1,11-13H2;1H.
What are the key properties of 1-(4-fluorophenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride?
1-(4-fluorophenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride has a molecular weight of 307.80 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 2979681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).