(2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine

C11H15F2NO — CID 97057965

IUPAC(2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine
SMILESC[C@@H](CN)Cc1cccc(OC(F)F)c1
InChIInChI=1S/C11H15F2NO/c1-8(7-14)5-9-3-2-4-10(6-9)15-11(12)13/h2-4,6,8,11H,5,7,14H2,1H3/t8-/m1/s1
InChIKeyDOVAKENMPXSWAP-MRVPVSSYSA-N
MW215.24 g/mol
LogP2.43
Rot. Bonds5

About (2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine

(2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine (PubChem CID 97057965) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine
PubChem CID97057965
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine
SMILESC[C@@H](CN)Cc1cccc(OC(F)F)c1
InChIInChI=1S/C11H15F2NO/c1-8(7-14)5-9-3-2-4-10(6-9)15-11(12)13/h2-4,6,8,11H,5,7,14H2,1H3/t8-/m1/s1
InChIKeyDOVAKENMPXSWAP-MRVPVSSYSA-N
XLogP2.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene
CID 145445557
2-[3-(difluoromethoxy)phenyl]ethanamine
CID 45091388
3-(3-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114522991
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
[3-(difluoromethoxy)phenyl]methanol
CID 2736994
(2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine
CID 126619606
1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol
CID 130373175
4-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 79002230
2-[[3-(difluoromethoxy)phenyl]methyl-methylamino]propanoic acid
CID 119134927
2-methyl-3-phenylpropan-1-amine
CID 12672558
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
2-[3-(difluoromethoxy)phenyl]acetonitrile
CID 2737017

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine?
The IUPAC name of (2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine (CID 97057965) is (2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine.
What is the SMILES notation for (2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine?
The canonical SMILES for (2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine is C[C@@H](CN)Cc1cccc(OC(F)F)c1.
What is the InChIKey of (2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine?
The InChIKey is DOVAKENMPXSWAP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-8(7-14)5-9-3-2-4-10(6-9)15-11(12)13/h2-4,6,8,11H,5,7,14H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine?
(2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine has a molecular weight of 215.24 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine is sourced from PubChem (CID 97057965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).