1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol

C15H24FNO — CID 115325304

IUPAC1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol
SMILESCC(C)CCCCNCC(O)c1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-12(2)6-3-4-9-17-11-15(18)13-7-5-8-14(16)10-13/h5,7-8,10,12,15,17-18H,3-4,6,9,11H2,1-2H3
InChIKeyUAHNLSPMFAPTQN-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.28
Rot. Bonds8

About 1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol

1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol (PubChem CID 115325304) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol
PubChem CID115325304
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol
SMILESCC(C)CCCCNCC(O)c1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-12(2)6-3-4-9-17-11-15(18)13-7-5-8-14(16)10-13/h5,7-8,10,12,15,17-18H,3-4,6,9,11H2,1-2H3
InChIKeyUAHNLSPMFAPTQN-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.28
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

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CID 115567782
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60906498
2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol
CID 60898398
1-(3-fluorophenyl)-2-(3-methylsulfinylbutylamino)ethanol
CID 113490452
1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
CID 60979915
1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
CID 78966982
1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol
CID 54893307
1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol
CID 113287471
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol
CID 60899473
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155543

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol (CID 115325304) is 1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol is CC(C)CCCCNCC(O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol?
The InChIKey is UAHNLSPMFAPTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-12(2)6-3-4-9-17-11-15(18)13-7-5-8-14(16)10-13/h5,7-8,10,12,15,17-18H,3-4,6,9,11H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol?
1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol has a molecular weight of 253.36 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol is sourced from PubChem (CID 115325304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).