(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol

C10H13ClFNO — CID 93082589

IUPAC(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol
SMILESC[C@@H](CO)NCc1c(F)cccc1Cl
InChIInChI=1S/C10H13ClFNO/c1-7(6-14)13-5-8-9(11)3-2-4-10(8)12/h2-4,7,13-14H,5-6H2,1H3/t7-/m0/s1
InChIKeyXRJDFGBXFZDUQE-ZETCQYMHSA-N
MW217.67 g/mol
LogP1.95
Rot. Bonds4

About (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol

(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol (PubChem CID 93082589) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol
PubChem CID93082589
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol
SMILESC[C@@H](CO)NCc1c(F)cccc1Cl
InChIInChI=1S/C10H13ClFNO/c1-7(6-14)13-5-8-9(11)3-2-4-10(8)12/h2-4,7,13-14H,5-6H2,1H3/t7-/m0/s1
InChIKeyXRJDFGBXFZDUQE-ZETCQYMHSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
CID 914011
2-[(2-chloro-6-fluorophenyl)methylamino]propane-1-thiol
CID 130205125
3-[(2-chloro-6-fluorophenyl)methylamino]-2-methylsulfanylbutan-1-ol
CID 103684950
N-[(2-chloro-6-fluorophenyl)methyl]-4-methylsulfinylbutan-2-amine
CID 115688164
N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43749140
(1R)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28517521
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
(2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol
CID 114983164
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432724
N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 63452789
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54952882
N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine
CID 146174762

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol?
The IUPAC name of (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol (CID 93082589) is (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol is C[C@@H](CO)NCc1c(F)cccc1Cl.
What is the InChIKey of (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol?
The InChIKey is XRJDFGBXFZDUQE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-7(6-14)13-5-8-9(11)3-2-4-10(8)12/h2-4,7,13-14H,5-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol?
(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol has a molecular weight of 217.67 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol is sourced from PubChem (CID 93082589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).