1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine

C11H15ClFNO — CID 84795134

IUPAC1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(F)c(CC(C)(C)N)c(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-11(2,14)6-8-9(12)4-7(15-3)5-10(8)13/h4-5H,6,14H2,1-3H3
InChIKeyRNICDFYOSAAPFW-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.77
Rot. Bonds3

About 1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine

1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine (PubChem CID 84795134) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
PubChem CID84795134
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(F)c(CC(C)(C)N)c(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-11(2,14)6-8-9(12)4-7(15-3)5-10(8)13/h4-5H,6,14H2,1-3H3
InChIKeyRNICDFYOSAAPFW-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride
CID 84809935
2-(2,6-dichloro-4-methoxyphenyl)ethanamine
CID 82616097
1-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine
CID 117366838
1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine
CID 117366841
(2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride
CID 162342560
2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene
CID 53403518
2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine
CID 117337721
1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine
CID 61496061
1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117335601
[2-chloro-4-methoxy-6-(trifluoromethyl)phenyl]methanamine
CID 171021002
3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine
CID 117331589
(2,6-difluoro-4-methoxyphenyl)methanol
CID 3736239

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine (CID 84795134) is 1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine is COc1cc(F)c(CC(C)(C)N)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is RNICDFYOSAAPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-11(2,14)6-8-9(12)4-7(15-3)5-10(8)13/h4-5H,6,14H2,1-3H3.
What are the key properties of 1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine?
1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine has a molecular weight of 231.70 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 84795134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).