(1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol

C15H18N2O — CID 63371061

IUPAC(1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)Cc2cccnc2)cc1
InChIInChI=1S/C15H18N2O/c1-12(18)14-5-7-15(8-6-14)17(2)11-13-4-3-9-16-10-13/h3-10,12,18H,11H2,1-2H3/t12-/m0/s1
InChIKeyKTHFKGHQCFKBFS-LBPRGKRZSA-N
MW242.32 g/mol
LogP2.77
Rot. Bonds4

About (1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol

(1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol (PubChem CID 63371061) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
PubChem CID63371061
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)Cc2cccnc2)cc1
InChIInChI=1S/C15H18N2O/c1-12(18)14-5-7-15(8-6-14)17(2)11-13-4-3-9-16-10-13/h3-10,12,18H,11H2,1-2H3/t12-/m0/s1
InChIKeyKTHFKGHQCFKBFS-LBPRGKRZSA-N
XLogP2.77
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563488
(1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132034
4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 43563540
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
CID 43563565
5-N-methyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533006
2-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline
CID 62908343
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934682
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934917
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyridin-4-amine
CID 62282233
6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione
CID 43586464
4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline
CID 62135360

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol (CID 63371061) is (1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol is C[C@H](O)c1ccc(N(C)Cc2cccnc2)cc1.
What is the InChIKey of (1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol?
The InChIKey is KTHFKGHQCFKBFS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12(18)14-5-7-15(8-6-14)17(2)11-13-4-3-9-16-10-13/h3-10,12,18H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol?
(1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol has a molecular weight of 242.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol is sourced from PubChem (CID 63371061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).