N-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine

C18H22FNO2 — CID 54803870

IUPACN-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
SMILESCCOc1ccc(CNCc2ccc(F)cc2)c(OCC)c1
InChIInChI=1S/C18H22FNO2/c1-3-21-17-10-7-15(18(11-17)22-4-2)13-20-12-14-5-8-16(19)9-6-14/h5-11,20H,3-4,12-13H2,1-2H3
InChIKeyAXPYIKJYZYGAGW-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.91
Rot. Bonds8

About N-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine

N-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 54803870) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
PubChem CID54803870
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC NameN-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
SMILESCCOc1ccc(CNCc2ccc(F)cc2)c(OCC)c1
InChIInChI=1S/C18H22FNO2/c1-3-21-17-10-7-15(18(11-17)22-4-2)13-20-12-14-5-8-16(19)9-6-14/h5-11,20H,3-4,12-13H2,1-2H3
InChIKeyAXPYIKJYZYGAGW-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dihexoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 54803885
N-[(2,4-diethoxyphenyl)methyl]ethanamine
CID 54804724
N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 54803920
N-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 2983714
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
N-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 54804024
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
N-[(2-ethoxy-5-nitrophenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 47091112
2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83973179
N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804142
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 6462036

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine (CID 54803870) is N-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine is CCOc1ccc(CNCc2ccc(F)cc2)c(OCC)c1.
What is the InChIKey of N-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is AXPYIKJYZYGAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-3-21-17-10-7-15(18(11-17)22-4-2)13-20-12-14-5-8-16(19)9-6-14/h5-11,20H,3-4,12-13H2,1-2H3.
What are the key properties of N-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine?
N-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 303.38 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 54803870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).