(1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol

C16H26FNO — CID 55184479

IUPAC(1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol
SMILESCC(C)CN(CC(C)C)c1ccc(F)cc1[C@@H](C)O
InChIInChI=1S/C16H26FNO/c1-11(2)9-18(10-12(3)4)16-7-6-14(17)8-15(16)13(5)19/h6-8,11-13,19H,9-10H2,1-5H3/t13-/m1/s1
InChIKeyINVWWTVNMTVLAB-CYBMUJFWSA-N
MW267.39 g/mol
LogP4.00
Rot. Bonds6

About (1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol

(1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol (PubChem CID 55184479) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is (1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol
PubChem CID55184479
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name(1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol
SMILESCC(C)CN(CC(C)C)c1ccc(F)cc1[C@@H](C)O
InChIInChI=1S/C16H26FNO/c1-11(2)9-18(10-12(3)4)16-7-6-14(17)8-15(16)13(5)19/h6-8,11-13,19H,9-10H2,1-5H3/t13-/m1/s1
InChIKeyINVWWTVNMTVLAB-CYBMUJFWSA-N
XLogP4.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 63370772
2-[N-(cyanomethyl)-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]acetonitrile
CID 78939218
(1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol
CID 78940044
(1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 63371229
(1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol
CID 78939401
1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386723
(1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63966843
(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939980
1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 63372729
2-[(1S)-1-aminoethyl]-4-fluoro-N,N-bis(3-methylbutyl)aniline
CID 107870073
2-[(1R)-1-aminoethyl]-4-fluoro-N,N-bis(3-methylbutyl)aniline
CID 107870060
3-[4-fluoro-2-(1-hydroxyethyl)-N-propan-2-ylanilino]propan-1-ol
CID 54994679

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol (CID 55184479) is (1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol is CC(C)CN(CC(C)C)c1ccc(F)cc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol?
The InChIKey is INVWWTVNMTVLAB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26FNO/c1-11(2)9-18(10-12(3)4)16-7-6-14(17)8-15(16)13(5)19/h6-8,11-13,19H,9-10H2,1-5H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol?
(1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol has a molecular weight of 267.39 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol is sourced from PubChem (CID 55184479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).