(2R)-2-[[(R)-[(1R)-cyclohex-2-en-1-yl]-pyridin-3-ylmethyl]amino]-2-phenylethanol

C20H24N2O — CID 134955338

IUPAC(2R)-2-[[(R)-[(1R)-cyclohex-2-en-1-yl]-pyridin-3-ylmethyl]amino]-2-phenylethanol
SMILESOC[C@H](N[C@@H](c1cccnc1)[C@H]1C=CCCC1)c1ccccc1
InChIInChI=1S/C20H24N2O/c23-15-19(16-8-3-1-4-9-16)22-20(17-10-5-2-6-11-17)18-12-7-13-21-14-18/h1,3-5,7-10,12-14,17,19-20,22-23H,2,6,11,15H2/t17-,19-,20+/m0/s1
InChIKeyRPQKCVLCKKWQAN-YSIASYRMSA-N
MW308.43 g/mol
LogP3.80
Rot. Bonds6

About (2R)-2-[[(R)-[(1R)-cyclohex-2-en-1-yl]-pyridin-3-ylmethyl]amino]-2-phenylethanol

(2R)-2-[[(R)-[(1R)-cyclohex-2-en-1-yl]-pyridin-3-ylmethyl]amino]-2-phenylethanol (PubChem CID 134955338) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (2R)-2-[[(R)-[(1R)-cyclohex-2-en-1-yl]-pyridin-3-ylmethyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[(R)-[(1R)-cyclohex-2-en-1-yl]-pyridin-3-ylmethyl]amino]-2-phenylethanol
PubChem CID134955338
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(2R)-2-[[(R)-[(1R)-cyclohex-2-en-1-yl]-pyridin-3-ylmethyl]amino]-2-phenylethanol
SMILESOC[C@H](N[C@@H](c1cccnc1)[C@H]1C=CCCC1)c1ccccc1
InChIInChI=1S/C20H24N2O/c23-15-19(16-8-3-1-4-9-16)22-20(17-10-5-2-6-11-17)18-12-7-13-21-14-18/h1,3-5,7-10,12-14,17,19-20,22-23H,2,6,11,15H2/t17-,19-,20+/m0/s1
InChIKeyRPQKCVLCKKWQAN-YSIASYRMSA-N
XLogP3.80
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(R)-[(1R)-cyclohex-2-en-1-yl]-pyridin-3-ylmethyl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[(R)-[(1R)-cyclohex-2-en-1-yl]-pyridin-3-ylmethyl]amino]-2-phenylethanol (CID 134955338) is (2R)-2-[[(R)-[(1R)-cyclohex-2-en-1-yl]-pyridin-3-ylmethyl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[(R)-[(1R)-cyclohex-2-en-1-yl]-pyridin-3-ylmethyl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[(R)-[(1R)-cyclohex-2-en-1-yl]-pyridin-3-ylmethyl]amino]-2-phenylethanol is OC[C@H](N[C@@H](c1cccnc1)[C@H]1C=CCCC1)c1ccccc1.
What is the InChIKey of (2R)-2-[[(R)-[(1R)-cyclohex-2-en-1-yl]-pyridin-3-ylmethyl]amino]-2-phenylethanol?
The InChIKey is RPQKCVLCKKWQAN-YSIASYRMSA-N. The full InChI is InChI=1S/C20H24N2O/c23-15-19(16-8-3-1-4-9-16)22-20(17-10-5-2-6-11-17)18-12-7-13-21-14-18/h1,3-5,7-10,12-14,17,19-20,22-23H,2,6,11,15H2/t17-,19-,20+/m0/s1.
What are the key properties of (2R)-2-[[(R)-[(1R)-cyclohex-2-en-1-yl]-pyridin-3-ylmethyl]amino]-2-phenylethanol?
(2R)-2-[[(R)-[(1R)-cyclohex-2-en-1-yl]-pyridin-3-ylmethyl]amino]-2-phenylethanol has a molecular weight of 308.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(R)-[(1R)-cyclohex-2-en-1-yl]-pyridin-3-ylmethyl]amino]-2-phenylethanol is sourced from PubChem (CID 134955338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).