1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol

C18H29NO2 — CID 65107204

IUPAC1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol
SMILESCC(C)COc1ccc(C(C)NCC2(O)CCCC2)cc1
InChIInChI=1S/C18H29NO2/c1-14(2)12-21-17-8-6-16(7-9-17)15(3)19-13-18(20)10-4-5-11-18/h6-9,14-15,19-20H,4-5,10-13H2,1-3H3
InChIKeyJHKCNPQPYXXLFS-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.68
Rot. Bonds7

About 1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol

1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol (PubChem CID 65107204) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol
PubChem CID65107204
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol
SMILESCC(C)COc1ccc(C(C)NCC2(O)CCCC2)cc1
InChIInChI=1S/C18H29NO2/c1-14(2)12-21-17-8-6-16(7-9-17)15(3)19-13-18(20)10-4-5-11-18/h6-9,14-15,19-20H,4-5,10-13H2,1-3H3
InChIKeyJHKCNPQPYXXLFS-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 81355924
1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105631
1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol
CID 81359958
1-[[1-(4-chlorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 54965453
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122937
3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanenitrile
CID 43207709
[1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol
CID 115927986
1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65107365
2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
CID 64570267
N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 63450652
1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903167

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol (CID 65107204) is 1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol is CC(C)COc1ccc(C(C)NCC2(O)CCCC2)cc1.
What is the InChIKey of 1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is JHKCNPQPYXXLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)12-21-17-8-6-16(7-9-17)15(3)19-13-18(20)10-4-5-11-18/h6-9,14-15,19-20H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol?
1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65107204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).