4-chloro-2-[1-[(4-methyl-2-pyridinyl)amino]ethyl]phenol

C14H15ClN2O — CID 6916152

IUPAC4-chloro-2-[1-[(4-methyl-2-pyridinyl)amino]ethyl]phenol
SMILESCc1ccnc(NC(C)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C14H15ClN2O/c1-9-5-6-16-14(7-9)17-10(2)12-8-11(15)3-4-13(12)18/h3-8,10,18H,1-2H3,(H,16,17)
InChIKeyBEMRBHWKEUCAQU-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.92
Rot. Bonds3

About 4-chloro-2-[1-[(4-methyl-2-pyridinyl)amino]ethyl]phenol

4-chloro-2-[1-[(4-methyl-2-pyridinyl)amino]ethyl]phenol (PubChem CID 6916152) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-2-[1-[(4-methyl-2-pyridinyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[1-[(4-methyl-2-pyridinyl)amino]ethyl]phenol
PubChem CID6916152
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-chloro-2-[1-[(4-methyl-2-pyridinyl)amino]ethyl]phenol
SMILESCc1ccnc(NC(C)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C14H15ClN2O/c1-9-5-6-16-14(7-9)17-10(2)12-8-11(15)3-4-13(12)18/h3-8,10,18H,1-2H3,(H,16,17)
InChIKeyBEMRBHWKEUCAQU-UHFFFAOYSA-N
XLogP3.92
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.92
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

2-[1-(2-bromo-5-chloroanilino)ethyl]-4-methylphenol
CID 81270628
4-chloro-2-[(1S)-1-(2,6-dimethylanilino)ethyl]phenol
CID 828639
4-chloro-2-[(1S)-1-(methylamino)ethyl]phenol
CID 94343743
2-[1-(3-chloroanilino)ethyl]-4-methylphenol
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4-chloro-2-[1-(2,3-dimethylanilino)ethyl]phenol
CID 2947511
4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol
CID 2948111
2-[1-(5-chloro-2-nitroanilino)ethyl]-4-methylphenol
CID 43686129
N-(4-chlorophenyl)-4-methylpyridin-2-amine
CID 53414585
N-(4-chlorobutan-2-yl)-4-methylpyridin-2-amine
CID 83188560
2-[1-(4-chloroanilino)ethyl]benzene-1,4-diol
CID 43194306
4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol
CID 60944016
2-[1-(5-chloro-2-fluoroanilino)ethyl]benzene-1,4-diol
CID 43438338

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-[(4-methyl-2-pyridinyl)amino]ethyl]phenol?
The IUPAC name of 4-chloro-2-[1-[(4-methyl-2-pyridinyl)amino]ethyl]phenol (CID 6916152) is 4-chloro-2-[1-[(4-methyl-2-pyridinyl)amino]ethyl]phenol.
What is the SMILES notation for 4-chloro-2-[1-[(4-methyl-2-pyridinyl)amino]ethyl]phenol?
The canonical SMILES for 4-chloro-2-[1-[(4-methyl-2-pyridinyl)amino]ethyl]phenol is Cc1ccnc(NC(C)c2cc(Cl)ccc2O)c1.
What is the InChIKey of 4-chloro-2-[1-[(4-methyl-2-pyridinyl)amino]ethyl]phenol?
The InChIKey is BEMRBHWKEUCAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-5-6-16-14(7-9)17-10(2)12-8-11(15)3-4-13(12)18/h3-8,10,18H,1-2H3,(H,16,17).
What are the key properties of 4-chloro-2-[1-[(4-methyl-2-pyridinyl)amino]ethyl]phenol?
4-chloro-2-[1-[(4-methyl-2-pyridinyl)amino]ethyl]phenol has a molecular weight of 262.74 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-[(4-methyl-2-pyridinyl)amino]ethyl]phenol is sourced from PubChem (CID 6916152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).