1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol

C14H22FNO — CID 62118004

IUPAC1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol
SMILESCCCC(CC)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-3-5-13(4-2)16-10-14(17)11-6-8-12(15)9-7-11/h6-9,13-14,16-17H,3-5,10H2,1-2H3
InChIKeyGVJBOHQHIPNJRK-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.03
Rot. Bonds7

About 1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol

1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol (PubChem CID 62118004) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol
PubChem CID62118004
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol
SMILESCCCC(CC)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-3-5-13(4-2)16-10-14(17)11-6-8-12(15)9-7-11/h6-9,13-14,16-17H,3-5,10H2,1-2H3
InChIKeyGVJBOHQHIPNJRK-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol
CID 138488448
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
N-[(4-fluorophenyl)methyl]hexan-3-amine
CID 62118907
2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 115905958
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82313061
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide
CID 110911200
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol
CID 82937633
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730
2-(1-cyclopropylbutan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63995935
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol (CID 62118004) is 1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol is CCCC(CC)NCC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol?
The InChIKey is GVJBOHQHIPNJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-5-13(4-2)16-10-14(17)11-6-8-12(15)9-7-11/h6-9,13-14,16-17H,3-5,10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol?
1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol has a molecular weight of 239.33 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol is sourced from PubChem (CID 62118004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).