(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol

C11H16FNO — CID 96500370

IUPAC(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
SMILESC[C@@H](O)CCNCc1cccc(F)c1
InChIInChI=1S/C11H16FNO/c1-9(14)5-6-13-8-10-3-2-4-11(12)7-10/h2-4,7,9,13-14H,5-6,8H2,1H3/t9-/m1/s1
InChIKeyHHAKDIBLTNYSFC-SECBINFHSA-N
MW197.25 g/mol
LogP1.69
Rot. Bonds5

About (2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol

(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol (PubChem CID 96500370) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
PubChem CID96500370
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
SMILESC[C@@H](O)CCNCc1cccc(F)c1
InChIInChI=1S/C11H16FNO/c1-9(14)5-6-13-8-10-3-2-4-11(12)7-10/h2-4,7,9,13-14H,5-6,8H2,1H3/t9-/m1/s1
InChIKeyHHAKDIBLTNYSFC-SECBINFHSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(difluoromethyl)phenyl]methylamino]butan-2-ol
CID 115526556
N-[(3-fluorophenyl)methyl]-3-methylsulfinylbutan-1-amine
CID 115711826
1-N-[(3-fluorophenyl)methyl]pentane-1,4-diamine
CID 115203879
2-[(3-fluorophenyl)methylamino]ethanol
CID 10866749
but-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine
CID 142275035
1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631776
N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 60977027
2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol
CID 107685808
(2S)-4-[(3-chloro-4-fluorophenyl)methylamino]butan-2-ol
CID 97053093
(2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol
CID 96500088
3-[(3-fluorophenyl)methylamino]propan-1-ol
CID 28714303
N-[(3-fluorophenyl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723148

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol?
The IUPAC name of (2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol (CID 96500370) is (2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol.
What is the SMILES notation for (2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol?
The canonical SMILES for (2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol is C[C@@H](O)CCNCc1cccc(F)c1.
What is the InChIKey of (2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol?
The InChIKey is HHAKDIBLTNYSFC-SECBINFHSA-N. The full InChI is InChI=1S/C11H16FNO/c1-9(14)5-6-13-8-10-3-2-4-11(12)7-10/h2-4,7,9,13-14H,5-6,8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol?
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol has a molecular weight of 197.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol is sourced from PubChem (CID 96500370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).