(1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine

C12H18FNO — CID 29003344

IUPAC(1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OC(C)(C)C)c(F)c1
InChIInChI=1S/C12H18FNO/c1-8(14)9-5-6-11(10(13)7-9)15-12(2,3)4/h5-8H,14H2,1-4H3/t8-/m1/s1
InChIKeyAEOULAMCJBPAJT-MRVPVSSYSA-N
MW211.28 g/mol
LogP3.02
Rot. Bonds2

About (1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine

(1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine (PubChem CID 29003344) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
PubChem CID29003344
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name(1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OC(C)(C)C)c(F)c1
InChIInChI=1S/C12H18FNO/c1-8(14)9-5-6-11(10(13)7-9)15-12(2,3)4/h5-8H,14H2,1-4H3/t8-/m1/s1
InChIKeyAEOULAMCJBPAJT-MRVPVSSYSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
CID 118989596
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine
CID 79680037
1-[4-(4,4-dimethylpentoxy)-3-fluorophenyl]ethanamine
CID 114209334
(1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 104892667
1-[4-(2-tert-butylphenoxy)-3-fluorophenyl]ethanamine
CID 43103758
1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine
CID 130562859
(1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 82956090
(1R)-1-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003340
(1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine
CID 103174897
(1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine
CID 63370497

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine (CID 29003344) is (1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine is C[C@@H](N)c1ccc(OC(C)(C)C)c(F)c1.
What is the InChIKey of (1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
The InChIKey is AEOULAMCJBPAJT-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-8(14)9-5-6-11(10(13)7-9)15-12(2,3)4/h5-8H,14H2,1-4H3/t8-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
(1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine has a molecular weight of 211.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine is sourced from PubChem (CID 29003344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).