1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol

C15H22FNO2 — CID 65107365

IUPAC1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol
SMILESCOc1ccc(C(C)NCC2(O)CCCC2)cc1F
InChIInChI=1S/C15H22FNO2/c1-11(17-10-15(18)7-3-4-8-15)12-5-6-14(19-2)13(16)9-12/h5-6,9,11,17-18H,3-4,7-8,10H2,1-2H3
InChIKeyNILXJBXUHAHVRA-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.79
Rot. Bonds5

About 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol

1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 65107365) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID65107365
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol
SMILESCOc1ccc(C(C)NCC2(O)CCCC2)cc1F
InChIInChI=1S/C15H22FNO2/c1-11(17-10-15(18)7-3-4-8-15)12-5-6-14(19-2)13(16)9-12/h5-6,9,11,17-18H,3-4,7-8,10H2,1-2H3
InChIKeyNILXJBXUHAHVRA-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol
CID 110905199
1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415550
1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105321
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 115897048
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 113348517
1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105631
1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 81355924
1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239724
1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol
CID 65107204
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 115575005

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol (CID 65107365) is 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol is COc1ccc(C(C)NCC2(O)CCCC2)cc1F.
What is the InChIKey of 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is NILXJBXUHAHVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(17-10-15(18)7-3-4-8-15)12-5-6-14(19-2)13(16)9-12/h5-6,9,11,17-18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol?
1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 267.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65107365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).