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

C18H29NO2 — CID 65211448

IUPAC1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol
SMILESCc1ccc(OCC2(O)CCCC2)c(CNCC(C)C)c1
InChIInChI=1S/C18H29NO2/c1-14(2)11-19-12-16-10-15(3)6-7-17(16)21-13-18(20)8-4-5-9-18/h6-7,10,14,19-20H,4-5,8-9,11-13H2,1-3H3
InChIKeyKJABYQKPYOOFLR-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.42
Rot. Bonds7

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

1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol (PubChem CID 65211448) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol
PubChem CID65211448
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol
SMILESCc1ccc(OCC2(O)CCCC2)c(CNCC(C)C)c1
InChIInChI=1S/C18H29NO2/c1-14(2)11-19-12-16-10-15(3)6-7-17(16)21-13-18(20)8-4-5-9-18/h6-7,10,14,19-20H,4-5,8-9,11-13H2,1-3H3
InChIKeyKJABYQKPYOOFLR-UHFFFAOYSA-N
XLogP3.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
CID 65213913
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 81106035
N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 65369408
propan-2-yl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63326690
1-[[2-[(1S)-1-aminoethyl]-5-methylphenoxy]methyl]cyclopentan-1-ol
CID 79004921
1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
CID 79004887
1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208708
2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 63327030
1-[[4-fluoro-2-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 107695107
2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanenitrile
CID 63327073
methyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
CID 63327028
1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone
CID 65210652

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol (CID 65211448) is 1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol is Cc1ccc(OCC2(O)CCCC2)c(CNCC(C)C)c1.
What is the InChIKey of 1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol?
The InChIKey is KJABYQKPYOOFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)11-19-12-16-10-15(3)6-7-17(16)21-13-18(20)8-4-5-9-18/h6-7,10,14,19-20H,4-5,8-9,11-13H2,1-3H3.
What are the key properties of 1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol?
1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65211448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).