2-(2-bicyclo[2.2.1]heptanylamino)-1-(3,5-dimethoxyphenyl)ethanol

C17H25NO3 — CID 75440752

IUPAC2-(2-bicyclo[2.2.1]heptanylamino)-1-(3,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)cc(C(O)CNC2CC3CCC2C3)c1
InChIInChI=1S/C17H25NO3/c1-20-14-7-13(8-15(9-14)21-2)17(19)10-18-16-6-11-3-4-12(16)5-11/h7-9,11-12,16-19H,3-6,10H2,1-2H3
InChIKeyTZZFSDSKFNWYHB-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.52
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]heptanylamino)-1-(3,5-dimethoxyphenyl)ethanol

2-(2-bicyclo[2.2.1]heptanylamino)-1-(3,5-dimethoxyphenyl)ethanol (PubChem CID 75440752) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylamino)-1-(3,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylamino)-1-(3,5-dimethoxyphenyl)ethanol
PubChem CID75440752
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanylamino)-1-(3,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)cc(C(O)CNC2CC3CCC2C3)c1
InChIInChI=1S/C17H25NO3/c1-20-14-7-13(8-15(9-14)21-2)17(19)10-18-16-6-11-3-4-12(16)5-11/h7-9,11-12,16-19H,3-6,10H2,1-2H3
InChIKeyTZZFSDSKFNWYHB-UHFFFAOYSA-N
XLogP2.52
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-(3,5-dimethoxyphenyl)ethanol
CID 98855938
(1R)-2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-(3,5-dimethoxyphenyl)ethanol
CID 98855935
N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 23736358
2-(cyclopentylamino)-1-(3,5-dimethoxyphenyl)ethanol
CID 110922411
[2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethoxyphenyl)ethyl]hydrazine
CID 105323624
1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol
CID 81133622
(1R,2S,4S)-N-[2-(4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 784416
1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 157085885
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol
CID 81134353
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanol
CID 61099271
1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
CID 81338115
1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylamino)-1-(3,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylamino)-1-(3,5-dimethoxyphenyl)ethanol (CID 75440752) is 2-(2-bicyclo[2.2.1]heptanylamino)-1-(3,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylamino)-1-(3,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylamino)-1-(3,5-dimethoxyphenyl)ethanol is COc1cc(OC)cc(C(O)CNC2CC3CCC2C3)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylamino)-1-(3,5-dimethoxyphenyl)ethanol?
The InChIKey is TZZFSDSKFNWYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-14-7-13(8-15(9-14)21-2)17(19)10-18-16-6-11-3-4-12(16)5-11/h7-9,11-12,16-19H,3-6,10H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylamino)-1-(3,5-dimethoxyphenyl)ethanol?
2-(2-bicyclo[2.2.1]heptanylamino)-1-(3,5-dimethoxyphenyl)ethanol has a molecular weight of 291.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylamino)-1-(3,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 75440752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).