2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine

C15H14ClF2NO — CID 105142039

IUPAC2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine
SMILESCC(Oc1cccc(Cl)c1)C(N)c1cc(F)cc(F)c1
InChIInChI=1S/C15H14ClF2NO/c1-9(20-14-4-2-3-11(16)7-14)15(19)10-5-12(17)8-13(18)6-10/h2-9,15H,19H2,1H3
InChIKeyMIJJUISXJVNAOU-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.09
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine

2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine (PubChem CID 105142039) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine
PubChem CID105142039
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine
SMILESCC(Oc1cccc(Cl)c1)C(N)c1cc(F)cc(F)c1
InChIInChI=1S/C15H14ClF2NO/c1-9(20-14-4-2-3-11(16)7-14)15(19)10-5-12(17)8-13(18)6-10/h2-9,15H,19H2,1H3
InChIKeyMIJJUISXJVNAOU-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine
CID 105097009
2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine
CID 105092349
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine
CID 105118874
2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine
CID 105094671
2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine
CID 105093487
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine
CID 105146009
1-(2-chloro-5-fluorophenyl)-3-(3-chlorophenoxy)butan-2-amine
CID 102622785
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 102648801
[2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)propyl]hydrazine
CID 105303167
1-(4-fluorophenyl)-2-phenoxypropan-1-amine
CID 16782575
2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol
CID 105083853

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine (CID 105142039) is 2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine is CC(Oc1cccc(Cl)c1)C(N)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine?
The InChIKey is MIJJUISXJVNAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-9(20-14-4-2-3-11(16)7-14)15(19)10-5-12(17)8-13(18)6-10/h2-9,15H,19H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine?
2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine has a molecular weight of 297.73 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine is sourced from PubChem (CID 105142039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).