(2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol

C16H21NO — CID 103766373

IUPAC(2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol
SMILESOC[C@H](NCC1CC2C=CC1C2)c1ccccc1
InChIInChI=1S/C16H21NO/c18-11-16(13-4-2-1-3-5-13)17-10-15-9-12-6-7-14(15)8-12/h1-7,12,14-18H,8-11H2/t12?,14?,15?,16-/m0/s1
InChIKeyDTHBKPYOPFEOPS-PMDNPJMJSA-N
MW243.35 g/mol
LogP2.52
Rot. Bonds5

About (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol

(2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol (PubChem CID 103766373) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol
PubChem CID103766373
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol
SMILESOC[C@H](NCC1CC2C=CC1C2)c1ccccc1
InChIInChI=1S/C16H21NO/c18-11-16(13-4-2-1-3-5-13)17-10-15-9-12-6-7-14(15)8-12/h1-7,12,14-18H,8-11H2/t12?,14?,15?,16-/m0/s1
InChIKeyDTHBKPYOPFEOPS-PMDNPJMJSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225668
(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
(2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-1-ol
CID 103924340
(1S)-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylmethanamine
CID 98220438
(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine
CID 81382032
(2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol
CID 107166604
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol
CID 115685647
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea
CID 4610236
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol
CID 66176724
(2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 99797044
(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371542

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol?
The IUPAC name of (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol (CID 103766373) is (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol.
What is the SMILES notation for (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol?
The canonical SMILES for (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol is OC[C@H](NCC1CC2C=CC1C2)c1ccccc1.
What is the InChIKey of (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol?
The InChIKey is DTHBKPYOPFEOPS-PMDNPJMJSA-N. The full InChI is InChI=1S/C16H21NO/c18-11-16(13-4-2-1-3-5-13)17-10-15-9-12-6-7-14(15)8-12/h1-7,12,14-18H,8-11H2/t12?,14?,15?,16-/m0/s1.
What are the key properties of (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol?
(2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol has a molecular weight of 243.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol is sourced from PubChem (CID 103766373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).