(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol

C11H15ClFNO — CID 96910013

IUPAC(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFNO/c1-2-10(7-15)14-6-8-5-9(12)3-4-11(8)13/h3-5,10,14-15H,2,6-7H2,1H3/t10-/m1/s1
InChIKeyXSLSMFPRQJOUCT-SNVBAGLBSA-N
MW231.70 g/mol
LogP2.34
Rot. Bonds5

About (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol

(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol (PubChem CID 96910013) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol
PubChem CID96910013
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFNO/c1-2-10(7-15)14-6-8-5-9(12)3-4-11(8)13/h3-5,10,14-15H,2,6-7H2,1H3/t10-/m1/s1
InChIKeyXSLSMFPRQJOUCT-SNVBAGLBSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2,5-dichlorophenyl)methylamino]butan-1-ol
CID 96919096
N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899865
2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol
CID 75355893
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 114842197
2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol
CID 43207158
(2S)-2-[(3-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910008
(2S)-2-[(4-bromo-2-fluorophenyl)methylamino]butan-1-ol
CID 51863621
(2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol
CID 93043909
2-[(3-chlorophenyl)methylamino]butan-1-ol
CID 4711843
(2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51996369
2-[(4-chloro-2-methylphenyl)methylamino]propane-1,3-diol
CID 104854266
N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine
CID 114842422

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol (CID 96910013) is (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol is CC[C@H](CO)NCc1cc(Cl)ccc1F.
What is the InChIKey of (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol?
The InChIKey is XSLSMFPRQJOUCT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-2-10(7-15)14-6-8-5-9(12)3-4-11(8)13/h3-5,10,14-15H,2,6-7H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol?
(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol has a molecular weight of 231.70 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 96910013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).