(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol

C12H17F2NO — CID 103922371

IUPAC(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol
SMILESCC[C@H](CO)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-3-10(7-16)15-8(2)11-5-4-9(13)6-12(11)14/h4-6,8,10,15-16H,3,7H2,1-2H3/t8?,10-/m1/s1
InChIKeyAJNXQYZSNILCBJ-LHIURRSHSA-N
MW229.27 g/mol
LogP2.39
Rot. Bonds5

About (2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol

(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol (PubChem CID 103922371) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is (2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol
PubChem CID103922371
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol
SMILESCC[C@H](CO)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-3-10(7-16)15-8(2)11-5-4-9(13)6-12(11)14/h4-6,8,10,15-16H,3,7H2,1-2H3/t8?,10-/m1/s1
InChIKeyAJNXQYZSNILCBJ-LHIURRSHSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol
CID 63064953
2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol
CID 43771126
4-fluoro-2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]phenol
CID 104980959
2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol
CID 114094254
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
(2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol
CID 103922444
N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 43680852
3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol
CID 113261939
3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol
CID 113262026
N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191889
N-[1-(2,4-difluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 103775814
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol?
The IUPAC name of (2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol (CID 103922371) is (2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol is CC[C@H](CO)NC(C)c1ccc(F)cc1F.
What is the InChIKey of (2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol?
The InChIKey is AJNXQYZSNILCBJ-LHIURRSHSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-3-10(7-16)15-8(2)11-5-4-9(13)6-12(11)14/h4-6,8,10,15-16H,3,7H2,1-2H3/t8?,10-/m1/s1.
What are the key properties of (2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol?
(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol has a molecular weight of 229.27 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 103922371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).