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

C16H19ClFNO — CID 2968597

IUPACN-[(2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
SMILESCCOc1ccccc1CNCc1ccc(F)cc1.Cl
InChIInChI=1S/C16H18FNO.ClH/c1-2-19-16-6-4-3-5-14(16)12-18-11-13-7-9-15(17)10-8-13;/h3-10,18H,2,11-12H2,1H3;1H
InChIKeyQWTFNJCCNZNMPX-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.94
Rot. Bonds6

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

N-[(2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride (PubChem CID 2968597) has the molecular formula C16H19ClFNO and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
PubChem CID2968597
Molecular FormulaC16H19ClFNO
Molecular Weight295.79 g/mol
Exact Mass295.11
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
SMILESCCOc1ccccc1CNCc1ccc(F)cc1.Cl
InChIInChI=1S/C16H18FNO.ClH/c1-2-19-16-6-4-3-5-14(16)12-18-11-13-7-9-15(17)10-8-13;/h3-10,18H,2,11-12H2,1H3;1H
InChIKeyQWTFNJCCNZNMPX-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride (CID 2968597) is N-[(2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride is CCOc1ccccc1CNCc1ccc(F)cc1.Cl.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride?
The InChIKey is QWTFNJCCNZNMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO.ClH/c1-2-19-16-6-4-3-5-14(16)12-18-11-13-7-9-15(17)10-8-13;/h3-10,18H,2,11-12H2,1H3;1H.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride?
N-[(2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride has a molecular weight of 295.79 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 2968597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).