2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine

C11H15ClFNO — CID 117335610

IUPAC2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine
SMILESCOc1c(Cl)cc(F)c(C)c1C(C)(C)N
InChIInChI=1S/C11H15ClFNO/c1-6-8(13)5-7(12)10(15-4)9(6)11(2,3)14/h5H,14H2,1-4H3
InChIKeyGDJPPCXAPPGPOR-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.99
Rot. Bonds2

About 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine

2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine (PubChem CID 117335610) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine
PubChem CID117335610
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine
SMILESCOc1c(Cl)cc(F)c(C)c1C(C)(C)N
InChIInChI=1S/C11H15ClFNO/c1-6-8(13)5-7(12)10(15-4)9(6)11(2,3)14/h5H,14H2,1-4H3
InChIKeyGDJPPCXAPPGPOR-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine
CID 117310322
3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913
3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene
CID 84707952
2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine
CID 117311862
2-(2,5-dimethoxy-3,6-dimethylphenyl)propan-2-amine
CID 117320504
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117369297
3-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)-2,2-dimethylpropanoic acid
CID 117439277
2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290502
6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol
CID 84796633
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-(8-chloro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propan-2-amine
CID 117432295

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine?
The IUPAC name of 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine (CID 117335610) is 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine?
The canonical SMILES for 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine is COc1c(Cl)cc(F)c(C)c1C(C)(C)N.
What is the InChIKey of 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine?
The InChIKey is GDJPPCXAPPGPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-6-8(13)5-7(12)10(15-4)9(6)11(2,3)14/h5H,14H2,1-4H3.
What are the key properties of 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine?
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine has a molecular weight of 231.70 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine is sourced from PubChem (CID 117335610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).