1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol

C16H25NO2 — CID 115494643

IUPAC1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol
SMILESCNC(C)Cc1ccc(OCC2(O)CCCC2)cc1
InChIInChI=1S/C16H25NO2/c1-13(17-2)11-14-5-7-15(8-6-14)19-12-16(18)9-3-4-10-16/h5-8,13,17-18H,3-4,9-12H2,1-2H3
InChIKeyWSJXCKILZOIARM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.52
Rot. Bonds6

About 1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol

1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol (PubChem CID 115494643) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol
PubChem CID115494643
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol
SMILESCNC(C)Cc1ccc(OCC2(O)CCCC2)cc1
InChIInChI=1S/C16H25NO2/c1-13(17-2)11-14-5-7-15(8-6-14)19-12-16(18)9-3-4-10-16/h5-8,13,17-18H,3-4,9-12H2,1-2H3
InChIKeyWSJXCKILZOIARM-UHFFFAOYSA-N
XLogP2.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208708
1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol
CID 65213368
1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004891
2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol
CID 115494621
2-[4-[(2S)-2-(methylamino)propyl]phenoxy]acetic acid
CID 10236117
2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494731
N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 115494827
N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494718
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494771
1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208480
ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate
CID 113322952
1-[(4-phenylphenoxy)methyl]cyclopentan-1-ol
CID 65212692

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol (CID 115494643) is 1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol is CNC(C)Cc1ccc(OCC2(O)CCCC2)cc1.
What is the InChIKey of 1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol?
The InChIKey is WSJXCKILZOIARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(17-2)11-14-5-7-15(8-6-14)19-12-16(18)9-3-4-10-16/h5-8,13,17-18H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol?
1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol is sourced from PubChem (CID 115494643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).