2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine

C19H24FNO2 — CID 82160452

IUPAC2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine
SMILESCCCOc1cccc(CC(CN)c2ccc(F)cc2)c1OC
InChIInChI=1S/C19H24FNO2/c1-3-11-23-18-6-4-5-15(19(18)22-2)12-16(13-21)14-7-9-17(20)10-8-14/h4-10,16H,3,11-13,21H2,1-2H3
InChIKeyNYVTZDMPJHBOQM-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.91
Rot. Bonds8

About 2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine

2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine (PubChem CID 82160452) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine
PubChem CID82160452
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine
SMILESCCCOc1cccc(CC(CN)c2ccc(F)cc2)c1OC
InChIInChI=1S/C19H24FNO2/c1-3-11-23-18-6-4-5-15(19(18)22-2)12-16(13-21)14-7-9-17(20)10-8-14/h4-10,16H,3,11-13,21H2,1-2H3
InChIKeyNYVTZDMPJHBOQM-UHFFFAOYSA-N
XLogP3.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine
CID 82160341
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine
CID 82160370
3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972548
2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine
CID 82160331
3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine
CID 83973413
3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976577
4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol
CID 83975456
2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83974158
ethane;1-ethyl-2-methoxy-3-propoxybenzene
CID 143988437
2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83973785
2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine
CID 112538879

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine (CID 82160452) is 2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine is CCCOc1cccc(CC(CN)c2ccc(F)cc2)c1OC.
What is the InChIKey of 2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine?
The InChIKey is NYVTZDMPJHBOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-3-11-23-18-6-4-5-15(19(18)22-2)12-16(13-21)14-7-9-17(20)10-8-14/h4-10,16H,3,11-13,21H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine?
2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine has a molecular weight of 317.40 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 2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 82160452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).