[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine

C12H13F6NO2 — CID 102721800

IUPAC[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(COC(C(F)(F)F)C(F)(F)F)cc1CN
InChIInChI=1S/C12H13F6NO2/c1-20-9-3-2-7(4-8(9)5-19)6-21-10(11(13,14)15)12(16,17)18/h2-4,10H,5-6,19H2,1H3
InChIKeyULNKQOJPKLAWEM-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.16
Rot. Bonds5

About [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine

[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine (PubChem CID 102721800) has the molecular formula C12H13F6NO2 and a molecular weight of 317.23 g/mol. Its IUPAC name is [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine
PubChem CID102721800
Molecular FormulaC12H13F6NO2
Molecular Weight317.23 g/mol
Exact Mass317.09
IUPAC Name[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(COC(C(F)(F)F)C(F)(F)F)cc1CN
InChIInChI=1S/C12H13F6NO2/c1-20-9-3-2-7(4-8(9)5-19)6-21-10(11(13,14)15)12(16,17)18/h2-4,10H,5-6,19H2,1H3
InChIKeyULNKQOJPKLAWEM-UHFFFAOYSA-N
XLogP3.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-4-methoxyaniline
CID 102721686
[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine
CID 102721796
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-4-methoxybenzaldehyde
CID 102722538
[2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine
CID 90155936
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine
CID 107289743
[2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine
CID 65338310
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 65338803
[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine
CID 114157330
[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338540
[2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine
CID 103401488
[2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
CID 65343771

Frequently Asked Questions

What is the IUPAC name of [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine?
The IUPAC name of [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine (CID 102721800) is [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine is COc1ccc(COC(C(F)(F)F)C(F)(F)F)cc1CN.
What is the InChIKey of [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine?
The InChIKey is ULNKQOJPKLAWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F6NO2/c1-20-9-3-2-7(4-8(9)5-19)6-21-10(11(13,14)15)12(16,17)18/h2-4,10H,5-6,19H2,1H3.
What are the key properties of [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine?
[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine has a molecular weight of 317.23 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine is sourced from PubChem (CID 102721800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).