2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol

C15H23NO3 — CID 155509277

IUPAC2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
SMILESCCOc1cc(CN[C@H]2CCC[C@@H](O)C2)ccc1O
InChIInChI=1S/C15H23NO3/c1-2-19-15-8-11(6-7-14(15)18)10-16-12-4-3-5-13(17)9-12/h6-8,12-13,16-18H,2-5,9-10H2,1H3/t12-,13+/m0/s1
InChIKeyNPDJTSFPNOECIB-QWHCGFSZSA-N
MW265.35 g/mol
LogP2.18
Rot. Bonds5

About 2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol

2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol (PubChem CID 155509277) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
PubChem CID155509277
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
SMILESCCOc1cc(CN[C@H]2CCC[C@@H](O)C2)ccc1O
InChIInChI=1S/C15H23NO3/c1-2-19-15-8-11(6-7-14(15)18)10-16-12-4-3-5-13(17)9-12/h6-8,12-13,16-18H,2-5,9-10H2,1H3/t12-,13+/m0/s1
InChIKeyNPDJTSFPNOECIB-QWHCGFSZSA-N
XLogP2.18
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol;formic acid
CID 155940077
2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 63278413
4-[(3-ethoxy-4-hydroxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65054528
4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-ethoxyphenol;hydrochloride
CID 163329632
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol
CID 81390490
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol
CID 65470463
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64741035
2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol
CID 43751145
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one
CID 62092103
2-ethoxy-4-[(2-hydroxycyclohexyl)methyl]phenol
CID 82185867
3-(1H-indol-5-ylmethylamino)cyclohexan-1-ol
CID 102909895

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol (CID 155509277) is 2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol is CCOc1cc(CN[C@H]2CCC[C@@H](O)C2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol?
The InChIKey is NPDJTSFPNOECIB-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-19-15-8-11(6-7-14(15)18)10-16-12-4-3-5-13(17)9-12/h6-8,12-13,16-18H,2-5,9-10H2,1H3/t12-,13+/m0/s1.
What are the key properties of 2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol?
2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol has a molecular weight of 265.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol is sourced from PubChem (CID 155509277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).