3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol

C11H15F2NO — CID 84723725

IUPAC3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol
SMILESCC(CN)(Cc1cccc(O)c1)C(F)F
InChIInChI=1S/C11H15F2NO/c1-11(7-14,10(12)13)6-8-3-2-4-9(15)5-8/h2-5,10,15H,6-7,14H2,1H3
InChIKeyBHVADHMGMHZIGC-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.16
Rot. Bonds4

About 3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol

3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol (PubChem CID 84723725) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol.

Molecular Properties

Compound Name3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol
PubChem CID84723725
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol
SMILESCC(CN)(Cc1cccc(O)c1)C(F)F
InChIInChI=1S/C11H15F2NO/c1-11(7-14,10(12)13)6-8-3-2-4-9(15)5-8/h2-5,10,15H,6-7,14H2,1H3
InChIKeyBHVADHMGMHZIGC-UHFFFAOYSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3,3-difluoro-2-methylpropan-1-amine
CID 84721110
4-[3-(aminomethyl)-4,4-difluoro-3-methylbutyl]phenol
CID 84726135
2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid;hydrate
CID 2729001
3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol
CID 84752324
3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride
CID 115045835
3-(1,1-difluoro-2-methylpropan-2-yl)phenol
CID 105442000
3-(3-fluorobutyl)phenol
CID 84653086
3-(3-amino-3-methylbutyl)phenol
CID 19863682
3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride
CID 67598749
3-(aminomethyl)-1-(3-hydroxyphenyl)-3-methylpentan-2-one
CID 116610789
3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol
CID 57265568
phenol;3-propylphenol
CID 66960022

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol?
The IUPAC name of 3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol (CID 84723725) is 3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol.
What is the SMILES notation for 3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol?
The canonical SMILES for 3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol is CC(CN)(Cc1cccc(O)c1)C(F)F.
What is the InChIKey of 3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol?
The InChIKey is BHVADHMGMHZIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-11(7-14,10(12)13)6-8-3-2-4-9(15)5-8/h2-5,10,15H,6-7,14H2,1H3.
What are the key properties of 3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol?
3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol has a molecular weight of 215.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol is sourced from PubChem (CID 84723725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).