2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]cyclopentan-1-ol

C15H22FNO2 — CID 107687600

IUPAC2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]cyclopentan-1-ol
SMILESCC(C)NCc1ccc(OC2CCCC2O)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-10(2)17-9-11-6-7-14(12(16)8-11)19-15-5-3-4-13(15)18/h6-8,10,13,15,17-18H,3-5,9H2,1-2H3
InChIKeyRDXVXSKFCNUGID-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.62
Rot. Bonds5

About 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]cyclopentan-1-ol

2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]cyclopentan-1-ol (PubChem CID 107687600) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]cyclopentan-1-ol
PubChem CID107687600
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]cyclopentan-1-ol
SMILESCC(C)NCc1ccc(OC2CCCC2O)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-10(2)17-9-11-6-7-14(12(16)8-11)19-15-5-3-4-13(15)18/h6-8,10,13,15,17-18H,3-5,9H2,1-2H3
InChIKeyRDXVXSKFCNUGID-UHFFFAOYSA-N
XLogP2.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenoxy)cyclopentan-1-ol
CID 60878215
N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine
CID 107687057
2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]cyclopentan-1-ol
CID 60882214
3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 107689607
N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine
CID 43283192
N-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]propan-2-amine
CID 103615857
N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 43281747
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine
CID 107891159
N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine
CID 62491870
N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine
CID 43283656
N-[[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 79332857
N-[(4-but-2-ynoxy-3-fluorophenyl)methyl]propan-2-amine
CID 107687869

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]cyclopentan-1-ol?
The IUPAC name of 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]cyclopentan-1-ol (CID 107687600) is 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]cyclopentan-1-ol is CC(C)NCc1ccc(OC2CCCC2O)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]cyclopentan-1-ol?
The InChIKey is RDXVXSKFCNUGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-10(2)17-9-11-6-7-14(12(16)8-11)19-15-5-3-4-13(15)18/h6-8,10,13,15,17-18H,3-5,9H2,1-2H3.
What are the key properties of 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]cyclopentan-1-ol?
2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]cyclopentan-1-ol has a molecular weight of 267.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]cyclopentan-1-ol is sourced from PubChem (CID 107687600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).