1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

C13H16ClF4NO2 — CID 103475184

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCOc1ccc(Cl)cc1CC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C13H16ClF4NO2/c1-20-11-3-2-9(14)4-8(11)5-10(19)6-21-7-13(17,18)12(15)16/h2-4,10,12H,5-7,19H2,1H3
InChIKeyQASFUZFNWDLQBK-UHFFFAOYSA-N
MW329.72 g/mol
LogP3.14
Rot. Bonds8

About 1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (PubChem CID 103475184) has the molecular formula C13H16ClF4NO2 and a molecular weight of 329.72 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
PubChem CID103475184
Molecular FormulaC13H16ClF4NO2
Molecular Weight329.72 g/mol
Exact Mass329.08
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCOc1ccc(Cl)cc1CC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C13H16ClF4NO2/c1-20-11-3-2-9(14)4-8(11)5-10(19)6-21-7-13(17,18)12(15)16/h2-4,10,12H,5-7,19H2,1H3
InChIKeyQASFUZFNWDLQBK-UHFFFAOYSA-N
XLogP3.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.72
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932
1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474152
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)propan-2-amine
CID 62605724
1-(2-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475087
1-(5-bromo-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473973
1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131585
[1-chloro-3-(5-chloro-2-methoxyphenyl)-1,1-difluoropropan-2-yl]hydrazine
CID 105265511
3-amino-4-(5-chloro-2-methoxyphenyl)butanoic acid
CID 82478281
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
CID 66143977
2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (CID 103475184) is 1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is COc1ccc(Cl)cc1CC(N)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The InChIKey is QASFUZFNWDLQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF4NO2/c1-20-11-3-2-9(14)4-8(11)5-10(19)6-21-7-13(17,18)12(15)16/h2-4,10,12H,5-7,19H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine has a molecular weight of 329.72 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is sourced from PubChem (CID 103475184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).