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

C16H25NO3 — CID 79004884

IUPAC1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol
SMILESCOc1cc([C@H](C)N)ccc1OCC1(O)CCCCC1
InChIInChI=1S/C16H25NO3/c1-12(17)13-6-7-14(15(10-13)19-2)20-11-16(18)8-4-3-5-9-16/h6-7,10,12,18H,3-5,8-9,11,17H2,1-2H3/t12-/m0/s1
InChIKeyPLFPNUICKCNHDQ-LBPRGKRZSA-N
MW279.38 g/mol
LogP2.79
Rot. Bonds5

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

1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol (PubChem CID 79004884) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol
PubChem CID79004884
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol
SMILESCOc1cc([C@H](C)N)ccc1OCC1(O)CCCCC1
InChIInChI=1S/C16H25NO3/c1-12(17)13-6-7-14(15(10-13)19-2)20-11-16(18)8-4-3-5-9-16/h6-7,10,12,18H,3-5,8-9,11,17H2,1-2H3/t12-/m0/s1
InChIKeyPLFPNUICKCNHDQ-LBPRGKRZSA-N
XLogP2.79
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208254
1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol
CID 113386912
1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004891
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208420
(1R)-1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 55191148
1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 61344621
1-[[5-(aminomethyl)-2-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208640
1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
CID 79004887
2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 30120639
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60880342
1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60879775

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol (CID 79004884) is 1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol is COc1cc([C@H](C)N)ccc1OCC1(O)CCCCC1.
What is the InChIKey of 1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol?
The InChIKey is PLFPNUICKCNHDQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(17)13-6-7-14(15(10-13)19-2)20-11-16(18)8-4-3-5-9-16/h6-7,10,12,18H,3-5,8-9,11,17H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol?
1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 79004884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).