(2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol

C11H15ClFNO — CID 114987014

IUPAC(2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol
SMILESCC(N[C@H](C)CO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-7(6-15)14-8(2)9-3-4-11(13)10(12)5-9/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8?/m1/s1
InChIKeyIYPOQQCYAPLJBD-GVHYBUMESA-N
MW231.70 g/mol
LogP2.51
Rot. Bonds4

About (2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol

(2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol (PubChem CID 114987014) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is (2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol
PubChem CID114987014
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name(2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol
SMILESCC(N[C@H](C)CO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-7(6-15)14-8(2)9-3-4-11(13)10(12)5-9/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8?/m1/s1
InChIKeyIYPOQQCYAPLJBD-GVHYBUMESA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165
(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol
CID 93082510
N-[1-(3-chloro-4-fluorophenyl)ethyl]pentan-2-amine
CID 43093581
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630
(2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103788936
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64629577
(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81351513
2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol
CID 115724755
(1S)-1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]ethanamine
CID 81354920
2-fluoro-4-[1-[[(2S)-1-hydroxypropan-2-yl]amino]ethyl]benzonitrile
CID 103930722
1-(3-chloro-4-fluorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 43110891
(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol
CID 93082546

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol?
The IUPAC name of (2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol (CID 114987014) is (2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol is CC(N[C@H](C)CO)c1ccc(F)c(Cl)c1.
What is the InChIKey of (2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol?
The InChIKey is IYPOQQCYAPLJBD-GVHYBUMESA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-7(6-15)14-8(2)9-3-4-11(13)10(12)5-9/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of (2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol?
(2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol has a molecular weight of 231.70 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol is sourced from PubChem (CID 114987014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).