1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol

C18H29NO2 — CID 65208142

IUPAC1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol
SMILESCCNC(CC)c1ccccc1OCC1(O)CCCCC1
InChIInChI=1S/C18H29NO2/c1-3-16(19-4-2)15-10-6-7-11-17(15)21-14-18(20)12-8-5-9-13-18/h6-7,10-11,16,19-20H,3-5,8-9,12-14H2,1-2H3
InChIKeyYCIVCUJYBQTYCE-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.82
Rot. Bonds7

About 1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol

1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol (PubChem CID 65208142) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol
PubChem CID65208142
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol
SMILESCCNC(CC)c1ccccc1OCC1(O)CCCCC1
InChIInChI=1S/C18H29NO2/c1-3-16(19-4-2)15-10-6-7-11-17(15)21-14-18(20)12-8-5-9-13-18/h6-7,10-11,16,19-20H,3-5,8-9,12-14H2,1-2H3
InChIKeyYCIVCUJYBQTYCE-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-propan-2-ylphenoxy)methyl]cyclopentan-1-ol
CID 65213064
1-[[2-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208309
1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol
CID 115692774
methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate
CID 60881530
N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500
N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine
CID 104804539
1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine
CID 63501142
1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine
CID 106929153
1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol
CID 63934370
[1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol
CID 115358414
4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol
CID 81041796
2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65479716

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol (CID 65208142) is 1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol is CCNC(CC)c1ccccc1OCC1(O)CCCCC1.
What is the InChIKey of 1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol?
The InChIKey is YCIVCUJYBQTYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-16(19-4-2)15-10-6-7-11-17(15)21-14-18(20)12-8-5-9-13-18/h6-7,10-11,16,19-20H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of 1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol?
1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65208142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).