[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine

C11H15F2NO — CID 79886822

IUPAC[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
SMILESCC(C)COc1c(F)cc(CN)cc1F
InChIInChI=1S/C11H15F2NO/c1-7(2)6-15-11-9(12)3-8(5-14)4-10(11)13/h3-4,7H,5-6,14H2,1-2H3
InChIKeyFSURHYQCSNJQIX-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.46
Rot. Bonds4

About [3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine

[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine (PubChem CID 79886822) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is [3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
PubChem CID79886822
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
SMILESCC(C)COc1c(F)cc(CN)cc1F
InChIInChI=1S/C11H15F2NO/c1-7(2)6-15-11-9(12)3-8(5-14)4-10(11)13/h3-4,7H,5-6,14H2,1-2H3
InChIKeyFSURHYQCSNJQIX-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-difluoro-4-(4-methylpentoxy)phenyl]methanamine
CID 81294772
3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide
CID 79886481
[3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine
CID 107741240
[3,5-difluoro-4-(4-methoxybutoxy)phenyl]methanamine
CID 104647126
1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
CID 58298374
(3,5-difluoro-4-pent-3-ynoxyphenyl)methanamine
CID 104805321
2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide
CID 79886751
[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
CID 79886217
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79886402
(3-fluoro-5-iodo-4-methoxyphenyl)methanamine
CID 171010748
6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol
CID 107702733
1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
CID 106455652

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine?
The IUPAC name of [3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine (CID 79886822) is [3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine?
The canonical SMILES for [3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine is CC(C)COc1c(F)cc(CN)cc1F.
What is the InChIKey of [3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine?
The InChIKey is FSURHYQCSNJQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(2)6-15-11-9(12)3-8(5-14)4-10(11)13/h3-4,7H,5-6,14H2,1-2H3.
What are the key properties of [3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine?
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine has a molecular weight of 215.24 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine is sourced from PubChem (CID 79886822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).