(1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol

C14H22FNO — CID 78939586

IUPAC(1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol
SMILESCCCCCN(C)c1ccc([C@H](C)O)cc1F
InChIInChI=1S/C14H22FNO/c1-4-5-6-9-16(3)14-8-7-12(11(2)17)10-13(14)15/h7-8,10-11,17H,4-6,9H2,1-3H3/t11-/m0/s1
InChIKeyUHSIFIDWDSSLRG-NSHDSACASA-N
MW239.33 g/mol
LogP3.51
Rot. Bonds6

About (1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol

(1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol (PubChem CID 78939586) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol
PubChem CID78939586
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name(1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol
SMILESCCCCCN(C)c1ccc([C@H](C)O)cc1F
InChIInChI=1S/C14H22FNO/c1-4-5-6-9-16(3)14-8-7-12(11(2)17)10-13(14)15/h7-8,10-11,17H,4-6,9H2,1-3H3/t11-/m0/s1
InChIKeyUHSIFIDWDSSLRG-NSHDSACASA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
5-[2-fluoro-4-[(1S)-1-hydroxyethyl]-N-methylanilino]pentan-1-ol
CID 107200857
(1S)-1-[3-fluoro-4-[methyl(3-methylbutyl)amino]phenyl]ethanol
CID 55184298
(1R)-1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 55183360
1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43505973
1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 43506175
(1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol
CID 79009341
1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
CID 61445859
(1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol
CID 63370901
1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 61412978
(1S)-1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 78939739
(1R)-1-[4-[(4-bromophenyl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 63370984

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol (CID 78939586) is (1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol is CCCCCN(C)c1ccc([C@H](C)O)cc1F.
What is the InChIKey of (1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol?
The InChIKey is UHSIFIDWDSSLRG-NSHDSACASA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-5-6-9-16(3)14-8-7-12(11(2)17)10-13(14)15/h7-8,10-11,17H,4-6,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol?
(1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol has a molecular weight of 239.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol is sourced from PubChem (CID 78939586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).