2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol

C15H18N2O — CID 81407326

IUPAC2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol
SMILESCC(N[C@H](C)c1cccnc1)c1ccccc1O
InChIInChI=1S/C15H18N2O/c1-11(13-6-5-9-16-10-13)17-12(2)14-7-3-4-8-15(14)18/h3-12,17-18H,1-2H3/t11-,12?/m1/s1
InChIKeyUUZCDGQBODQUCY-JHJMLUEUSA-N
MW242.32 g/mol
LogP3.20
Rot. Bonds4

About 2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol

2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol (PubChem CID 81407326) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol
PubChem CID81407326
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol
SMILESCC(N[C@H](C)c1cccnc1)c1ccccc1O
InChIInChI=1S/C15H18N2O/c1-11(13-6-5-9-16-10-13)17-12(2)14-7-3-4-8-15(14)18/h3-12,17-18H,1-2H3/t11-,12?/m1/s1
InChIKeyUUZCDGQBODQUCY-JHJMLUEUSA-N
XLogP3.20
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 79691249
(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine
CID 81344166
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81345023
4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine
CID 43203538
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
N-[1-(2,4-dichlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43193785
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81407144
2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol
CID 81347161
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-3-ylethanamine
CID 43363226

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol?
The IUPAC name of 2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol (CID 81407326) is 2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol.
What is the SMILES notation for 2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol?
The canonical SMILES for 2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol is CC(N[C@H](C)c1cccnc1)c1ccccc1O.
What is the InChIKey of 2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol?
The InChIKey is UUZCDGQBODQUCY-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(13-6-5-9-16-10-13)17-12(2)14-7-3-4-8-15(14)18/h3-12,17-18H,1-2H3/t11-,12?/m1/s1.
What are the key properties of 2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol?
2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol has a molecular weight of 242.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol is sourced from PubChem (CID 81407326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).