[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine

C12H13F6NO — CID 102721796

IUPAC[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H13F6NO/c1-7-4-8(5-19)2-3-9(7)6-20-10(11(13,14)15)12(16,17)18/h2-4,10H,5-6,19H2,1H3
InChIKeyRVPKLGBRGKQEKT-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.46
Rot. Bonds4

About [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine

[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine (PubChem CID 102721796) has the molecular formula C12H13F6NO and a molecular weight of 301.23 g/mol. Its IUPAC name is [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine
PubChem CID102721796
Molecular FormulaC12H13F6NO
Molecular Weight301.23 g/mol
Exact Mass301.09
IUPAC Name[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H13F6NO/c1-7-4-8(5-19)2-3-9(7)6-20-10(11(13,14)15)12(16,17)18/h2-4,10H,5-6,19H2,1H3
InChIKeyRVPKLGBRGKQEKT-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine
CID 114479420
[4-(methoxymethyl)-3-methylphenyl]methanamine
CID 88997132
[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine
CID 102721800
[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479266
[4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine
CID 106200256
[4-(aminomethyl)-2-methylphenyl]methanethiol
CID 145486508
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid
CID 102721461
[4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine
CID 114479347
[4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine
CID 114479437
[4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine
CID 114479387
[4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479426
[3-methyl-4-(nitrosomethyl)phenyl]methanamine
CID 142082936

Frequently Asked Questions

What is the IUPAC name of [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine?
The IUPAC name of [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine (CID 102721796) is [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine.
What is the SMILES notation for [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine?
The canonical SMILES for [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine is Cc1cc(CN)ccc1COC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine?
The InChIKey is RVPKLGBRGKQEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F6NO/c1-7-4-8(5-19)2-3-9(7)6-20-10(11(13,14)15)12(16,17)18/h2-4,10H,5-6,19H2,1H3.
What are the key properties of [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine?
[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine has a molecular weight of 301.23 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine is sourced from PubChem (CID 102721796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).