1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine

C12H18FNO — CID 84678560

IUPAC1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine
SMILESCOc1cc(F)cc(C(C)N)c1C(C)C
InChIInChI=1S/C12H18FNO/c1-7(2)12-10(8(3)14)5-9(13)6-11(12)15-4/h5-8H,14H2,1-4H3
InChIKeyHLMGDZZEHQHIAM-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.98
Rot. Bonds3

About 1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine

1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine (PubChem CID 84678560) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine
PubChem CID84678560
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine
SMILESCOc1cc(F)cc(C(C)N)c1C(C)C
InChIInChI=1S/C12H18FNO/c1-7(2)12-10(8(3)14)5-9(13)6-11(12)15-4/h5-8H,14H2,1-4H3
InChIKeyHLMGDZZEHQHIAM-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117324016
1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382007
(1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine
CID 55277831
2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine
CID 117290018
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol
CID 117288596
2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol
CID 131154819
2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol
CID 66514040
1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride
CID 162422590
1-(4-chloro-2,6-dimethoxyphenyl)ethanamine
CID 130139712
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
3-amino-3-(5-chloro-3-methoxy-2-propan-2-ylphenyl)propanoic acid
CID 117432171

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine (CID 84678560) is 1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine is COc1cc(F)cc(C(C)N)c1C(C)C.
What is the InChIKey of 1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine?
The InChIKey is HLMGDZZEHQHIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-7(2)12-10(8(3)14)5-9(13)6-11(12)15-4/h5-8H,14H2,1-4H3.
What are the key properties of 1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine?
1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine has a molecular weight of 211.28 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 84678560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).