1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol

C15H22FNO3 — CID 65108883

IUPAC1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol
SMILESOC(CNCC1(O)CCCC1)COc1ccccc1F
InChIInChI=1S/C15H22FNO3/c16-13-5-1-2-6-14(13)20-10-12(18)9-17-11-15(19)7-3-4-8-15/h1-2,5-6,12,17-19H,3-4,7-11H2
InChIKeyMZTMCSCUYRCXAP-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.46
Rot. Bonds7

About 1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol

1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol (PubChem CID 65108883) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol
PubChem CID65108883
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol
SMILESOC(CNCC1(O)CCCC1)COc1ccccc1F
InChIInChI=1S/C15H22FNO3/c16-13-5-1-2-6-14(13)20-10-12(18)9-17-11-15(19)7-3-4-8-15/h1-2,5-6,12,17-19H,3-4,7-11H2
InChIKeyMZTMCSCUYRCXAP-UHFFFAOYSA-N
XLogP1.46
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714
1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 113465059
1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
CID 106212261
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904476
6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851621
4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol
CID 81131042
1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 103461242
2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62359837
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide
CID 54937821
methyl 3-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 54935588

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol (CID 65108883) is 1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol is OC(CNCC1(O)CCCC1)COc1ccccc1F.
What is the InChIKey of 1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is MZTMCSCUYRCXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c16-13-5-1-2-6-14(13)20-10-12(18)9-17-11-15(19)7-3-4-8-15/h1-2,5-6,12,17-19H,3-4,7-11H2.
What are the key properties of 1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol?
1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 283.34 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65108883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).