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

C12H17ClFNO — CID 117366838

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

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

1-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine (PubChem CID 117366838) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 1-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine
PubChem CID117366838
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name1-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine
SMILESCOc1c(C)cc(Cl)c(F)c1CC(C)(C)N
InChIInChI=1S/C12H17ClFNO/c1-7-5-9(13)10(14)8(11(7)16-4)6-12(2,3)15/h5H,6,15H2,1-4H3
InChIKeyPUSZKFFGJLVYIE-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-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine
CID 117366841
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine
CID 117398186
1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine
CID 117356697
1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 84795134
1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117398192
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
1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 117347561
1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine
CID 84773717
2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine
CID 117337721
4-(3-chloro-2,5-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377898
2-(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)-2-methylpropanenitrile
CID 84801158

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine (CID 117366838) is 1-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine is COc1c(C)cc(Cl)c(F)c1CC(C)(C)N.
What is the InChIKey of 1-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine?
The InChIKey is PUSZKFFGJLVYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-7-5-9(13)10(14)8(11(7)16-4)6-12(2,3)15/h5H,6,15H2,1-4H3.
What are the key properties of 1-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine?
1-(3-chloro-2-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-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117366838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).