2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol

C20H25FN2O2 — CID 110011606

IUPAC2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol
SMILESCCC(Nc1ccc(OC2CCCCC2O)cc1)c1ccc(F)cn1
InChIInChI=1S/C20H25FN2O2/c1-2-17(18-12-7-14(21)13-22-18)23-15-8-10-16(11-9-15)25-20-6-4-3-5-19(20)24/h7-13,17,19-20,23-24H,2-6H2,1H3
InChIKeyLBJVYWAPJVFDKQ-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.47
Rot. Bonds6

About 2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol

2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol (PubChem CID 110011606) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol
PubChem CID110011606
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol
SMILESCCC(Nc1ccc(OC2CCCCC2O)cc1)c1ccc(F)cn1
InChIInChI=1S/C20H25FN2O2/c1-2-17(18-12-7-14(21)13-22-18)23-15-8-10-16(11-9-15)25-20-6-4-3-5-19(20)24/h7-13,17,19-20,23-24H,2-6H2,1H3
InChIKeyLBJVYWAPJVFDKQ-UHFFFAOYSA-N
XLogP4.47
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-2-[4-[[(1S)-1-(3,5-difluorophenyl)ethyl]amino]phenoxy]cyclohexan-1-ol
CID 124744406
5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol
CID 115938609
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline
CID 115938417
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline
CID 115938694
4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline
CID 112582832
1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine
CID 115939879
[3-[1-(5-fluoro-2-pyridinyl)propylamino]phenyl]methanol
CID 112582984
3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582851
1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115938792
N-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938465
2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol
CID 110013529
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline
CID 83118967

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol?
The IUPAC name of 2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol (CID 110011606) is 2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol is CCC(Nc1ccc(OC2CCCCC2O)cc1)c1ccc(F)cn1.
What is the InChIKey of 2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol?
The InChIKey is LBJVYWAPJVFDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-2-17(18-12-7-14(21)13-22-18)23-15-8-10-16(11-9-15)25-20-6-4-3-5-19(20)24/h7-13,17,19-20,23-24H,2-6H2,1H3.
What are the key properties of 2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol?
2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol has a molecular weight of 344.43 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol is sourced from PubChem (CID 110011606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).