(2R)-1-[[2-(difluoromethoxy)phenyl]methoxy]propan-2-amine

C11H15F2NO2 — CID 97057954

IUPAC(2R)-1-[[2-(difluoromethoxy)phenyl]methoxy]propan-2-amine
SMILESC[C@@H](N)COCc1ccccc1OC(F)F
InChIInChI=1S/C11H15F2NO2/c1-8(14)6-15-7-9-4-2-3-5-10(9)16-11(12)13/h2-5,8,11H,6-7,14H2,1H3/t8-/m1/s1
InChIKeyDZKLATWERPXHSH-MRVPVSSYSA-N
MW231.24 g/mol
LogP2.15
Rot. Bonds6

About (2R)-1-[[2-(difluoromethoxy)phenyl]methoxy]propan-2-amine

(2R)-1-[[2-(difluoromethoxy)phenyl]methoxy]propan-2-amine (PubChem CID 97057954) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is (2R)-1-[[2-(difluoromethoxy)phenyl]methoxy]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[[2-(difluoromethoxy)phenyl]methoxy]propan-2-amine
PubChem CID97057954
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name(2R)-1-[[2-(difluoromethoxy)phenyl]methoxy]propan-2-amine
SMILESC[C@@H](N)COCc1ccccc1OC(F)F
InChIInChI=1S/C11H15F2NO2/c1-8(14)6-15-7-9-4-2-3-5-10(9)16-11(12)13/h2-5,8,11H,6-7,14H2,1H3/t8-/m1/s1
InChIKeyDZKLATWERPXHSH-MRVPVSSYSA-N
XLogP2.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine
CID 97058293
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
1-(difluoromethoxy)-2-[(4-fluorophenoxy)methyl]benzene
CID 78846488
N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine
CID 64866201
4-[2-(difluoromethoxy)phenyl]butan-1-amine
CID 117306539
2-[2-[[2-(difluoromethoxy)phenyl]methoxy]phenoxy]ethanol
CID 78878305
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
N-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide
CID 119659145
N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560901
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 62681478

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[2-(difluoromethoxy)phenyl]methoxy]propan-2-amine?
The IUPAC name of (2R)-1-[[2-(difluoromethoxy)phenyl]methoxy]propan-2-amine (CID 97057954) is (2R)-1-[[2-(difluoromethoxy)phenyl]methoxy]propan-2-amine.
What is the SMILES notation for (2R)-1-[[2-(difluoromethoxy)phenyl]methoxy]propan-2-amine?
The canonical SMILES for (2R)-1-[[2-(difluoromethoxy)phenyl]methoxy]propan-2-amine is C[C@@H](N)COCc1ccccc1OC(F)F.
What is the InChIKey of (2R)-1-[[2-(difluoromethoxy)phenyl]methoxy]propan-2-amine?
The InChIKey is DZKLATWERPXHSH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-8(14)6-15-7-9-4-2-3-5-10(9)16-11(12)13/h2-5,8,11H,6-7,14H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-[[2-(difluoromethoxy)phenyl]methoxy]propan-2-amine?
(2R)-1-[[2-(difluoromethoxy)phenyl]methoxy]propan-2-amine has a molecular weight of 231.24 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[2-(difluoromethoxy)phenyl]methoxy]propan-2-amine is sourced from PubChem (CID 97057954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).