2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine

C10H12ClF2NO — CID 117343901

IUPAC2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine
SMILESCOc1c(F)c(Cl)cc(C(C)(C)N)c1F
InChIInChI=1S/C10H12ClF2NO/c1-10(2,14)5-4-6(11)8(13)9(15-3)7(5)12/h4H,14H2,1-3H3
InChIKeyAAOLKHGOLSKREJ-UHFFFAOYSA-N
MW235.66 g/mol
LogP2.82
Rot. Bonds2

About 2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine

2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine (PubChem CID 117343901) has the molecular formula C10H12ClF2NO and a molecular weight of 235.66 g/mol. Its IUPAC name is 2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine
PubChem CID117343901
Molecular FormulaC10H12ClF2NO
Molecular Weight235.66 g/mol
Exact Mass235.06
IUPAC Name2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine
SMILESCOc1c(F)c(Cl)cc(C(C)(C)N)c1F
InChIInChI=1S/C10H12ClF2NO/c1-10(2,14)5-4-6(11)8(13)9(15-3)7(5)12/h4H,14H2,1-3H3
InChIKeyAAOLKHGOLSKREJ-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.66
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine?
The IUPAC name of 2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine (CID 117343901) is 2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine is COc1c(F)c(Cl)cc(C(C)(C)N)c1F.
What is the InChIKey of 2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine?
The InChIKey is AAOLKHGOLSKREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO/c1-10(2,14)5-4-6(11)8(13)9(15-3)7(5)12/h4H,14H2,1-3H3.
What are the key properties of 2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine?
2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine has a molecular weight of 235.66 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 117343901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).