4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol

C14H21NO2 — CID 129394205

IUPAC4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol
SMILESOc1ccc(CCN[C@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C14H21NO2/c16-12-7-5-11(6-8-12)9-10-15-13-3-1-2-4-14(13)17/h5-8,13-17H,1-4,9-10H2/t13-,14+/m0/s1
InChIKeyYCIVAWHIAKUWTH-UONOGXRCSA-N
MW235.33 g/mol
LogP1.83
Rot. Bonds4

About 4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol

4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol (PubChem CID 129394205) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol
PubChem CID129394205
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol
SMILESOc1ccc(CCN[C@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C14H21NO2/c16-12-7-5-11(6-8-12)9-10-15-13-3-1-2-4-14(13)17/h5-8,13-17H,1-4,9-10H2/t13-,14+/m0/s1
InChIKeyYCIVAWHIAKUWTH-UONOGXRCSA-N
XLogP1.83
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2-tert-butylcyclohexyl)amino]ethyl]phenol
CID 61236716
4-[2-(cyclooctylamino)ethyl]phenol
CID 61238875
2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol
CID 61220239
4-[2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl]phenol
CID 79536288
2-(3-phenylpropylamino)cyclohexan-1-ol
CID 45358268
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
4-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenol
CID 82853823
N-(2-hydroxycyclohexyl)-2-(4-hydroxyphenyl)acetamide
CID 62361084
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol
CID 60713488
trans-(1S,2S)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol
CID 102732981
4-[2-[(4-ethylcyclohexyl)amino]ethyl]phenol
CID 61238876
(2S)-2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 28958417

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol (CID 129394205) is 4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol is Oc1ccc(CCN[C@H]2CCCC[C@H]2O)cc1.
What is the InChIKey of 4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol?
The InChIKey is YCIVAWHIAKUWTH-UONOGXRCSA-N. The full InChI is InChI=1S/C14H21NO2/c16-12-7-5-11(6-8-12)9-10-15-13-3-1-2-4-14(13)17/h5-8,13-17H,1-4,9-10H2/t13-,14+/m0/s1.
What are the key properties of 4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol?
4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol is sourced from PubChem (CID 129394205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).