1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine

C12H17ClFNO — CID 117366841

IUPAC1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine
SMILESCOc1c(C)cc(F)c(Cl)c1CC(C)(C)N
InChIInChI=1S/C12H17ClFNO/c1-7-5-9(14)10(13)8(11(7)16-4)6-12(2,3)15/h5H,6,15H2,1-4H3
InChIKeyHDUOHQHYGQNICW-UHFFFAOYSA-N
MW245.72 g/mol
LogP3.08
Rot. Bonds3

About 1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine

1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine (PubChem CID 117366841) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine
PubChem CID117366841
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine
SMILESCOc1c(C)cc(F)c(Cl)c1CC(C)(C)N
InChIInChI=1S/C12H17ClFNO/c1-7-5-9(14)10(13)8(11(7)16-4)6-12(2,3)15/h5H,6,15H2,1-4H3
InChIKeyHDUOHQHYGQNICW-UHFFFAOYSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine
CID 117366838
1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine
CID 117307503
1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117335601
1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 84795134
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine
CID 117398186
1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327192
3-(2-chloro-3-fluoro-5-hydroxy-6-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117443307
1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 117347561
2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine
CID 117287323
2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine
CID 117337721
1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-2-amine
CID 117391135
1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine
CID 117313615

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine (CID 117366841) is 1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine is COc1c(C)cc(F)c(Cl)c1CC(C)(C)N.
What is the InChIKey of 1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine?
The InChIKey is HDUOHQHYGQNICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-7-5-9(14)10(13)8(11(7)16-4)6-12(2,3)15/h5H,6,15H2,1-4H3.
What are the key properties of 1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine?
1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine has a molecular weight of 245.72 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117366841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).