5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol

C15H18N2O2 — CID 107706948

IUPAC5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol
SMILESCC(N[C@@H](C)c1ccncc1)c1cc(O)cc(O)c1
InChIInChI=1S/C15H18N2O2/c1-10(12-3-5-16-6-4-12)17-11(2)13-7-14(18)9-15(19)8-13/h3-11,17-19H,1-2H3/t10-,11?/m0/s1
InChIKeyPRVSBTBERIHSEX-VUWPPUDQSA-N
MW258.32 g/mol
LogP2.90
Rot. Bonds4

About 5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol

5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol (PubChem CID 107706948) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol
PubChem CID107706948
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol
SMILESCC(N[C@@H](C)c1ccncc1)c1cc(O)cc(O)c1
InChIInChI=1S/C15H18N2O2/c1-10(12-3-5-16-6-4-12)17-11(2)13-7-14(18)9-15(19)8-13/h3-11,17-19H,1-2H3/t10-,11?/m0/s1
InChIKeyPRVSBTBERIHSEX-VUWPPUDQSA-N
XLogP2.90
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
CID 103891609
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43202288
4-methyl-2-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]phenol
CID 81405986
(2S)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propan-1-ol
CID 93082825
5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107706626
[4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea
CID 43750014
2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
CID 81405988
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol
CID 107706935
5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol
CID 107706906

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol (CID 107706948) is 5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol is CC(N[C@@H](C)c1ccncc1)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol?
The InChIKey is PRVSBTBERIHSEX-VUWPPUDQSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(12-3-5-16-6-4-12)17-11(2)13-7-14(18)9-15(19)8-13/h3-11,17-19H,1-2H3/t10-,11?/m0/s1.
What are the key properties of 5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol?
5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol has a molecular weight of 258.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107706948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).