2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine

C10H13ClFNO — CID 117310322

IUPAC2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine
SMILESCOc1c(Cl)ccc(F)c1C(C)(C)N
InChIInChI=1S/C10H13ClFNO/c1-10(2,13)8-7(12)5-4-6(11)9(8)14-3/h4-5H,13H2,1-3H3
InChIKeyDZFWDCHKIAFPQM-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.68
Rot. Bonds2

About 2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine

2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine (PubChem CID 117310322) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine
PubChem CID117310322
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine
SMILESCOc1c(Cl)ccc(F)c1C(C)(C)N
InChIInChI=1S/C10H13ClFNO/c1-10(2,13)8-7(12)5-4-6(11)9(8)14-3/h4-5H,13H2,1-3H3
InChIKeyDZFWDCHKIAFPQM-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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Related Compounds

2-(3-chloro-6-fluoro-2-methoxyphenyl)-2-methylpropan-1-ol
CID 117337251
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine
CID 117335610
2-(2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83410012
2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine
CID 117311862
1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene
CID 122700549
2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine
CID 84782823
2-(2-aminopropan-2-yl)-3,6-difluorophenol
CID 117280747
6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol
CID 117288541
2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine
CID 117343901
2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372512
2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine
CID 84776186
3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol
CID 84777631

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine?
The IUPAC name of 2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine (CID 117310322) is 2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine is COc1c(Cl)ccc(F)c1C(C)(C)N.
What is the InChIKey of 2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine?
The InChIKey is DZFWDCHKIAFPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-10(2,13)8-7(12)5-4-6(11)9(8)14-3/h4-5H,13H2,1-3H3.
What are the key properties of 2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine?
2-(3-chloro-6-fluoro-2-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-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 117310322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).