(2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol

C21H26N2O — CID 10567884

IUPAC(2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol
SMILESCCCCCC#C[C@H](N[C@@H](CO)c1ccccc1)c1cccnc1
InChIInChI=1S/C21H26N2O/c1-2-3-4-5-9-14-20(19-13-10-15-22-16-19)23-21(17-24)18-11-7-6-8-12-18/h6-8,10-13,15-16,20-21,23-24H,2-5,17H2,1H3/t20-,21-/m0/s1
InChIKeyTWCXWXIDRUZQNS-SFTDATJTSA-N
MW322.45 g/mol
LogP4.03
Rot. Bonds8

About (2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol

(2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol (PubChem CID 10567884) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol
PubChem CID10567884
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol
SMILESCCCCCC#C[C@H](N[C@@H](CO)c1ccccc1)c1cccnc1
InChIInChI=1S/C21H26N2O/c1-2-3-4-5-9-14-20(19-13-10-15-22-16-19)23-21(17-24)18-11-7-6-8-12-18/h6-8,10-13,15-16,20-21,23-24H,2-5,17H2,1H3/t20-,21-/m0/s1
InChIKeyTWCXWXIDRUZQNS-SFTDATJTSA-N
XLogP4.03
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(heptan-2-ylamino)-2-phenylethanol
CID 103788664
2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol
CID 101260861
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butan-1-amine
CID 81406901
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
2,2-dipyridin-3-ylethanol
CID 57450821
N-(1-phenylheptyl)pyridine-3-carboxamide
CID 54544628
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187
N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
CID 81407378
1-pyridin-3-yldecylhydrazine
CID 105196150
N-(1-pyridin-3-ylethyl)heptan-2-amine
CID 43203632
3-decan-5-ylpyridine
CID 170375029
3-tridecan-7-ylpyridine
CID 129119745

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol?
The IUPAC name of (2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol (CID 10567884) is (2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol.
What is the SMILES notation for (2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol?
The canonical SMILES for (2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol is CCCCCC#C[C@H](N[C@@H](CO)c1ccccc1)c1cccnc1.
What is the InChIKey of (2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol?
The InChIKey is TWCXWXIDRUZQNS-SFTDATJTSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-3-4-5-9-14-20(19-13-10-15-22-16-19)23-21(17-24)18-11-7-6-8-12-18/h6-8,10-13,15-16,20-21,23-24H,2-5,17H2,1H3/t20-,21-/m0/s1.
What are the key properties of (2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol?
(2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol has a molecular weight of 322.45 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol is sourced from PubChem (CID 10567884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).