(2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol

C14H21F2NO2 — CID 114987010

IUPAC(2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol
SMILESCC(CCc1ccc(OC(F)F)cc1)N[C@H](C)CO
InChIInChI=1S/C14H21F2NO2/c1-10(17-11(2)9-18)3-4-12-5-7-13(8-6-12)19-14(15)16/h5-8,10-11,14,17-18H,3-4,9H2,1-2H3/t10?,11-/m1/s1
InChIKeyFFORVYYRQNVMFQ-RRKGBCIJSA-N
MW273.32 g/mol
LogP2.58
Rot. Bonds8

About (2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol

(2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol (PubChem CID 114987010) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is (2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol
PubChem CID114987010
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name(2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol
SMILESCC(CCc1ccc(OC(F)F)cc1)N[C@H](C)CO
InChIInChI=1S/C14H21F2NO2/c1-10(17-11(2)9-18)3-4-12-5-7-13(8-6-12)19-14(15)16/h5-8,10-11,14,17-18H,3-4,9H2,1-2H3/t10?,11-/m1/s1
InChIKeyFFORVYYRQNVMFQ-RRKGBCIJSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]-4-methylpentan-1-ol
CID 119165159
2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol
CID 115724716
4-[4-(difluoromethoxy)phenyl]-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 43185229
2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]acetic acid
CID 43247467
4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol
CID 119122210
N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]hex-1-yn-3-amine
CID 106226696
N-but-2-ynyl-4-[4-(difluoromethoxy)phenyl]butan-2-amine
CID 115896886
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine
CID 115728460
4-[4-(difluoromethoxy)phenyl]-N-(2,2,2-trifluoroethoxy)butan-2-amine
CID 82711474
N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]propane-1,3-diamine
CID 60889875
N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methylbut-3-yn-2-amine
CID 63999943

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol?
The IUPAC name of (2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol (CID 114987010) is (2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol is CC(CCc1ccc(OC(F)F)cc1)N[C@H](C)CO.
What is the InChIKey of (2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol?
The InChIKey is FFORVYYRQNVMFQ-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-10(17-11(2)9-18)3-4-12-5-7-13(8-6-12)19-14(15)16/h5-8,10-11,14,17-18H,3-4,9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol?
(2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol has a molecular weight of 273.32 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol is sourced from PubChem (CID 114987010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).