1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol

C16H25NO2 — CID 79004887

IUPAC1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
SMILESCc1ccc(OCC2(O)CCCCC2)c([C@H](C)N)c1
InChIInChI=1S/C16H25NO2/c1-12-6-7-15(14(10-12)13(2)17)19-11-16(18)8-4-3-5-9-16/h6-7,10,13,18H,3-5,8-9,11,17H2,1-2H3/t13-/m0/s1
InChIKeyGBMVXNXQUSORAU-ZDUSSCGKSA-N
MW263.38 g/mol
LogP3.09
Rot. Bonds4

About 1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol

1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol (PubChem CID 79004887) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
PubChem CID79004887
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
SMILESCc1ccc(OCC2(O)CCCCC2)c([C@H](C)N)c1
InChIInChI=1S/C16H25NO2/c1-12-6-7-15(14(10-12)13(2)17)19-11-16(18)8-4-3-5-9-16/h6-7,10,13,18H,3-5,8-9,11,17H2,1-2H3/t13-/m0/s1
InChIKeyGBMVXNXQUSORAU-ZDUSSCGKSA-N
XLogP3.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
CID 65213913
1-[[2-[(1S)-1-aminoethyl]-5-methylphenoxy]methyl]cyclopentan-1-ol
CID 79004921
1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol
CID 113386912
1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol
CID 79004928
1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol
CID 65213345
1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 79004884
1-[[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004930
1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone
CID 65210652
(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
CID 79007144
1-[2-(methoxymethoxy)-5-methylphenyl]ethanamine
CID 65365858
1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol
CID 65211448
2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 111331644

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol (CID 79004887) is 1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol is Cc1ccc(OCC2(O)CCCCC2)c([C@H](C)N)c1.
What is the InChIKey of 1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol?
The InChIKey is GBMVXNXQUSORAU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-6-7-15(14(10-12)13(2)17)19-11-16(18)8-4-3-5-9-16/h6-7,10,13,18H,3-5,8-9,11,17H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol?
1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 79004887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).