2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol

C14H15ClN2O — CID 82044991

IUPAC2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol
SMILESCc1ccc(NCC(O)c2ccccn2)cc1Cl
InChIInChI=1S/C14H15ClN2O/c1-10-5-6-11(8-12(10)15)17-9-14(18)13-4-2-3-7-16-13/h2-8,14,17-18H,9H2,1H3
InChIKeyTXYNBJFOKDSPCG-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.19
Rot. Bonds4

About 2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol

2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol (PubChem CID 82044991) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol
PubChem CID82044991
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol
SMILESCc1ccc(NCC(O)c2ccccn2)cc1Cl
InChIInChI=1S/C14H15ClN2O/c1-10-5-6-11(8-12(10)15)17-9-14(18)13-4-2-3-7-16-13/h2-8,14,17-18H,9H2,1H3
InChIKeyTXYNBJFOKDSPCG-UHFFFAOYSA-N
XLogP3.19
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylanilino)-1-pyridin-2-ylethanol
CID 82044534
2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60898395
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol
CID 167747087
2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 60898778
2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol
CID 75457516
1-(3-chloro-4-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60896301
2-chloro-1-pyridin-2-ylethanol
CID 22145518
1-(1,3-benzodioxol-5-yl)-2-(3-chloro-4-methylanilino)ethanol
CID 60899161
3-(3-chloro-4-methylphenyl)-1-(2-methoxyethyl)-1-(1-pyridin-2-ylethyl)thiourea
CID 3704045
N-benzyl-3-chloro-4-methylaniline
CID 18778604
methyl 3-(3-chloro-4-methylanilino)-2-methylpropanoate
CID 43538373

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol?
The IUPAC name of 2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol (CID 82044991) is 2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol is Cc1ccc(NCC(O)c2ccccn2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol?
The InChIKey is TXYNBJFOKDSPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10-5-6-11(8-12(10)15)17-9-14(18)13-4-2-3-7-16-13/h2-8,14,17-18H,9H2,1H3.
What are the key properties of 2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol?
2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol has a molecular weight of 262.74 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol is sourced from PubChem (CID 82044991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).