(2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol

C13H19F2NO3 — CID 28723108

IUPAC(2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C13H19F2NO3/c1-3-10(8-17)16-7-9-4-5-11(18-2)12(6-9)19-13(14)15/h4-6,10,13,16-17H,3,7-8H2,1-2H3/t10-/m1/s1
InChIKeyDFABPIOIMBSEHC-SNVBAGLBSA-N
MW275.29 g/mol
LogP2.16
Rot. Bonds8

About (2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol

(2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol (PubChem CID 28723108) has the molecular formula C13H19F2NO3 and a molecular weight of 275.29 g/mol. Its IUPAC name is (2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol
PubChem CID28723108
Molecular FormulaC13H19F2NO3
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name(2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C13H19F2NO3/c1-3-10(8-17)16-7-9-4-5-11(18-2)12(6-9)19-13(14)15/h4-6,10,13,16-17H,3,7-8H2,1-2H3/t10-/m1/s1
InChIKeyDFABPIOIMBSEHC-SNVBAGLBSA-N
XLogP2.16
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol with MolForge

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Related Compounds

(2S)-2-[(3,4-dimethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 23623616
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine
CID 62118157
(2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 28724580
2-[(4-ethoxy-3-methoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 2987537
3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol
CID 111449243
2-[(3,4-diethoxyphenyl)methylamino]butan-1-ol
CID 4722284
(2S)-2-[(3,4-diethoxyphenyl)methylamino]butan-1-ol
CID 40726397
N'-hydroxy-5-[(1-hydroxybutan-2-ylamino)methyl]-2-methoxybenzenecarboximidamide
CID 77065806
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine
CID 115581156
2-[(3,4-diethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 17292093
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]pentanoic acid
CID 65054789
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide
CID 61057407

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol (CID 28723108) is (2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol is CC[C@H](CO)NCc1ccc(OC)c(OC(F)F)c1.
What is the InChIKey of (2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol?
The InChIKey is DFABPIOIMBSEHC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19F2NO3/c1-3-10(8-17)16-7-9-4-5-11(18-2)12(6-9)19-13(14)15/h4-6,10,13,16-17H,3,7-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol?
(2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol has a molecular weight of 275.29 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol is sourced from PubChem (CID 28723108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).