2-(2-chloro-6-fluoro-4-methoxyphenyl)propan-2-amine

C10H13ClFNO — CID 84785860

IUPAC2-(2-chloro-6-fluoro-4-methoxyphenyl)propan-2-amine
SMILESCOc1cc(F)c(C(C)(C)N)c(Cl)c1
InChIInChI=1S/C10H13ClFNO/c1-10(2,13)9-7(11)4-6(14-3)5-8(9)12/h4-5H,13H2,1-3H3
InChIKeyIMVDCMHBUOZQFF-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.68
Rot. Bonds2

About 2-(2-chloro-6-fluoro-4-methoxyphenyl)propan-2-amine

2-(2-chloro-6-fluoro-4-methoxyphenyl)propan-2-amine (PubChem CID 84785860) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-(2-chloro-6-fluoro-4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluoro-4-methoxyphenyl)propan-2-amine
PubChem CID84785860
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name2-(2-chloro-6-fluoro-4-methoxyphenyl)propan-2-amine
SMILESCOc1cc(F)c(C(C)(C)N)c(Cl)c1
InChIInChI=1S/C10H13ClFNO/c1-10(2,13)9-7(11)4-6(14-3)5-8(9)12/h4-5H,13H2,1-3H3
InChIKeyIMVDCMHBUOZQFF-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluoro-4-methoxyphenyl)propan-2-amine?
The IUPAC name of 2-(2-chloro-6-fluoro-4-methoxyphenyl)propan-2-amine (CID 84785860) is 2-(2-chloro-6-fluoro-4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(2-chloro-6-fluoro-4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(2-chloro-6-fluoro-4-methoxyphenyl)propan-2-amine is COc1cc(F)c(C(C)(C)N)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-6-fluoro-4-methoxyphenyl)propan-2-amine?
The InChIKey is IMVDCMHBUOZQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-10(2,13)9-7(11)4-6(14-3)5-8(9)12/h4-5H,13H2,1-3H3.
What are the key properties of 2-(2-chloro-6-fluoro-4-methoxyphenyl)propan-2-amine?
2-(2-chloro-6-fluoro-4-methoxyphenyl)propan-2-amine has a molecular weight of 217.67 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluoro-4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 84785860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).