N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)propan-1-amine

C18H22FNO2 — CID 22026298

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)propan-1-amine
SMILESCOc1ccc(CNCC(C)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H22FNO2/c1-13(15-5-7-16(19)8-6-15)11-20-12-14-4-9-17(21-2)18(10-14)22-3/h4-10,13,20H,11-12H2,1-3H3
InChIKeyAELVFHZTSMJPQX-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.74
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)propan-1-amine

N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)propan-1-amine (PubChem CID 22026298) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)propan-1-amine
PubChem CID22026298
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)propan-1-amine
SMILESCOc1ccc(CNCC(C)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H22FNO2/c1-13(15-5-7-16(19)8-6-15)11-20-12-14-4-9-17(21-2)18(10-14)22-3/h4-10,13,20H,11-12H2,1-3H3
InChIKeyAELVFHZTSMJPQX-UHFFFAOYSA-N
XLogP3.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine
CID 22026275
1-[(3,4-dimethoxyphenyl)methylamino]butan-2-ol
CID 60886428
1-[(3,4-dimethoxyphenyl)methoxy]-3-[(4-fluorophenyl)methylamino]propan-2-ol
CID 4318167
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 65024222
2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115592709
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763989
N'-[(3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441147
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
1-N-[(3,4-dimethoxyphenyl)methyl]butane-1,2-diamine
CID 83957273
1-[(3,4-dimethoxyphenyl)methylamino]propan-2-ol;oxalic acid
CID 45074838
1-(3,4-dimethoxyphenyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 119113161
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)propan-1-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)propan-1-amine (CID 22026298) is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)propan-1-amine is COc1ccc(CNCC(C)c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)propan-1-amine?
The InChIKey is AELVFHZTSMJPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-13(15-5-7-16(19)8-6-15)11-20-12-14-4-9-17(21-2)18(10-14)22-3/h4-10,13,20H,11-12H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)propan-1-amine?
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)propan-1-amine has a molecular weight of 303.38 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 22026298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).