2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol

C16H23NO — CID 63681601

IUPAC2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol
SMILESOC(CNCC1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C16H23NO/c18-16(13-4-2-1-3-5-13)11-17-10-15-9-12-6-7-14(15)8-12/h1-5,12,14-18H,6-11H2
InChIKeyZYGJIEFIWXVZJO-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.75
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol

2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol (PubChem CID 63681601) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol
PubChem CID63681601
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol
SMILESOC(CNCC1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C16H23NO/c18-16(13-4-2-1-3-5-13)11-17-10-15-9-12-6-7-14(15)8-12/h1-5,12,14-18H,6-11H2
InChIKeyZYGJIEFIWXVZJO-UHFFFAOYSA-N
XLogP2.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol
CID 63683000
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-phenylacetamide
CID 55232631
1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol
CID 79557822
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
(1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol
CID 125183065
3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-phenylpropanoic acid
CID 119254834
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride
CID 119950772
4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid
CID 119201254
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-phenylmethanamine
CID 63682945
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine
CID 79561966
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-1-phenylethyl)acetamide
CID 114300183

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol (CID 63681601) is 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol is OC(CNCC1CC2CCC1C2)c1ccccc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol?
The InChIKey is ZYGJIEFIWXVZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-16(13-4-2-1-3-5-13)11-17-10-15-9-12-6-7-14(15)8-12/h1-5,12,14-18H,6-11H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol?
2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol has a molecular weight of 245.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol is sourced from PubChem (CID 63681601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).