2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine

C20H26FNO2 — CID 83975700

IUPAC2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine
SMILESCOc1cc(CC(CN)c2cccc(F)c2)ccc1OCC(C)C
InChIInChI=1S/C20H26FNO2/c1-14(2)13-24-19-8-7-15(10-20(19)23-3)9-17(12-22)16-5-4-6-18(21)11-16/h4-8,10-11,14,17H,9,12-13,22H2,1-3H3
InChIKeyIZIZIJCVEMZRIP-UHFFFAOYSA-N
MW331.43 g/mol
LogP4.15
Rot. Bonds8

About 2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine

2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine (PubChem CID 83975700) has the molecular formula C20H26FNO2 and a molecular weight of 331.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine
PubChem CID83975700
Molecular FormulaC20H26FNO2
Molecular Weight331.43 g/mol
Exact Mass331.19
IUPAC Name2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine
SMILESCOc1cc(CC(CN)c2cccc(F)c2)ccc1OCC(C)C
InChIInChI=1S/C20H26FNO2/c1-14(2)13-24-19-8-7-15(10-20(19)23-3)9-17(12-22)16-5-4-6-18(21)11-16/h4-8,10-11,14,17H,9,12-13,22H2,1-3H3
InChIKeyIZIZIJCVEMZRIP-UHFFFAOYSA-N
XLogP4.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973647
3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973627
3-fluoro-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]aniline
CID 39430250
3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
CID 83972590
2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457132
2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine
CID 79440307
2-(4-ethyl-2-methoxyphenoxy)-2-(3-fluorophenyl)ethanamine
CID 107663995
2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83972587
2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine
CID 83974029
2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
CID 82160336
4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol
CID 83972582
4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
CID 43141726

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine (CID 83975700) is 2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine is COc1cc(CC(CN)c2cccc(F)c2)ccc1OCC(C)C.
What is the InChIKey of 2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine?
The InChIKey is IZIZIJCVEMZRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO2/c1-14(2)13-24-19-8-7-15(10-20(19)23-3)9-17(12-22)16-5-4-6-18(21)11-16/h4-8,10-11,14,17H,9,12-13,22H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine?
2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine has a molecular weight of 331.43 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine is sourced from PubChem (CID 83975700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).