1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine

C11H15ClFNO — CID 117335601

IUPAC1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)cc(F)c1Cl
InChIInChI=1S/C11H15ClFNO/c1-11(2,14)6-7-4-8(13)10(12)9(5-7)15-3/h4-5H,6,14H2,1-3H3
InChIKeyMNEREBQKXICSSK-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.77
Rot. Bonds3

About 1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine

1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine (PubChem CID 117335601) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
PubChem CID117335601
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)cc(F)c1Cl
InChIInChI=1S/C11H15ClFNO/c1-11(2,14)6-7-4-8(13)10(12)9(5-7)15-3/h4-5H,6,14H2,1-3H3
InChIKeyMNEREBQKXICSSK-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

(4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride
CID 84713466
1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol
CID 117311648
1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117356705
1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine
CID 117313615
1-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine
CID 117366841
1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 82648003
1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine
CID 83698352
1-[3-(fluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-2-amine
CID 117355493
1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine
CID 84807348
2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine
CID 117337721
1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 84810981
1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 117317079

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine (CID 117335601) is 1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine is COc1cc(CC(C)(C)N)cc(F)c1Cl.
What is the InChIKey of 1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is MNEREBQKXICSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-11(2,14)6-7-4-8(13)10(12)9(5-7)15-3/h4-5H,6,14H2,1-3H3.
What are the key properties of 1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine?
1-(4-chloro-3-fluoro-5-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-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117335601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).