3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine

C21H20FNO — CID 83973445

IUPAC3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine
SMILESNCC(Cc1ccccc1F)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H20FNO/c22-21-12-5-4-7-17(21)13-18(15-23)16-8-6-11-20(14-16)24-19-9-2-1-3-10-19/h1-12,14,18H,13,15,23H2
InChIKeyMGCHTXFAPIBDQV-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.90
Rot. Bonds6

About 3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine

3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine (PubChem CID 83973445) has the molecular formula C21H20FNO and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine
PubChem CID83973445
Molecular FormulaC21H20FNO
Molecular Weight321.40 g/mol
Exact Mass321.15
IUPAC Name3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine
SMILESNCC(Cc1ccccc1F)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H20FNO/c22-21-12-5-4-7-17(21)13-18(15-23)16-8-6-11-20(14-16)24-19-9-2-1-3-10-19/h1-12,14,18H,13,15,23H2
InChIKeyMGCHTXFAPIBDQV-UHFFFAOYSA-N
XLogP4.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 83973683
3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973436
3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 112538857
3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973441
(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine
CID 171200508
2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 83972725
3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
CID 83973248
2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 82160286
(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220046
3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
CID 114858839
3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine
CID 82812600
1-(3-bromo-2-phenylpropyl)-2-fluorobenzene
CID 66043262

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine (CID 83973445) is 3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine is NCC(Cc1ccccc1F)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine?
The InChIKey is MGCHTXFAPIBDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO/c22-21-12-5-4-7-17(21)13-18(15-23)16-8-6-11-20(14-16)24-19-9-2-1-3-10-19/h1-12,14,18H,13,15,23H2.
What are the key properties of 3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine?
3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine has a molecular weight of 321.40 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine is sourced from PubChem (CID 83973445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).