3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol

C15H24FNO — CID 107715334

IUPAC3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol
SMILESCC(C)CCCCNC(C)c1ccc(O)cc1F
InChIInChI=1S/C15H24FNO/c1-11(2)6-4-5-9-17-12(3)14-8-7-13(18)10-15(14)16/h7-8,10-12,17-18H,4-6,9H2,1-3H3
InChIKeyZNTBRKNCPGKEGW-UHFFFAOYSA-N
MW253.36 g/mol
LogP4.01
Rot. Bonds7

About 3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol

3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol (PubChem CID 107715334) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol
PubChem CID107715334
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol
SMILESCC(C)CCCCNC(C)c1ccc(O)cc1F
InChIInChI=1S/C15H24FNO/c1-11(2)6-4-5-9-17-12(3)14-8-7-13(18)10-15(14)16/h7-8,10-12,17-18H,4-6,9H2,1-3H3
InChIKeyZNTBRKNCPGKEGW-UHFFFAOYSA-N
XLogP4.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 54.01
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

N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine
CID 115325076
4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
CID 107715210
3-fluoro-4-[1-(2-methylsulfinylethylamino)ethyl]phenol
CID 107715438
4-[1-(5-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 107316713
N-[1-(5-bromo-2-fluorophenyl)ethyl]-7-methyloctan-1-amine
CID 82962730
2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 106335344
tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate
CID 107715517
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 82961496
4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol
CID 107715500
4-[1-(5,5,5-trifluoropentylamino)ethyl]benzene-1,3-diol
CID 115517298
2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 107715392
3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol
CID 106144463

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol (CID 107715334) is 3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol is CC(C)CCCCNC(C)c1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol?
The InChIKey is ZNTBRKNCPGKEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-11(2)6-4-5-9-17-12(3)14-8-7-13(18)10-15(14)16/h7-8,10-12,17-18H,4-6,9H2,1-3H3.
What are the key properties of 3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol?
3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol has a molecular weight of 253.36 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol is sourced from PubChem (CID 107715334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).