6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol

C15H17ClN2O2 — CID 79781863

IUPAC6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol
SMILESCC(C)Oc1ccc(NCc2ccc(O)cn2)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-10(2)20-15-6-4-11(7-14(15)16)17-8-12-3-5-13(19)9-18-12/h3-7,9-10,17,19H,8H2,1-2H3
InChIKeyWZEAWNOPAFOGIG-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.84
Rot. Bonds5

About 6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol

6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol (PubChem CID 79781863) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol
PubChem CID79781863
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol
SMILESCC(C)Oc1ccc(NCc2ccc(O)cn2)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-10(2)20-15-6-4-11(7-14(15)16)17-8-12-3-5-13(19)9-18-12/h3-7,9-10,17,19H,8H2,1-2H3
InChIKeyWZEAWNOPAFOGIG-UHFFFAOYSA-N
XLogP3.84
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61170045
4-[(3-chloro-4-propan-2-yloxyanilino)methyl]benzene-1,3-diol
CID 43727146
6-[[3-chloro-4-(dimethylamino)anilino]methyl]pyridin-3-ol
CID 79781509
6-[(2-propan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79782862
3-chloro-4-propan-2-yloxy-N-(pyridin-4-ylmethyl)aniline
CID 43727132
N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-2-pyridinyl]methyl]-2-(trifluoromethyl)pyridin-4-amine
CID 146291269
2-bromo-4-[(3-chloro-4-propan-2-yloxyanilino)methyl]phenol
CID 60981482
propan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate
CID 79782251
3-chloro-N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxyaniline
CID 43727082
3-chloro-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxyaniline
CID 63445695
2-(3-chloro-4-propan-2-yloxyanilino)acetamide
CID 96674678
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-propan-2-yloxyaniline
CID 43727111

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol?
The IUPAC name of 6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol (CID 79781863) is 6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol?
The canonical SMILES for 6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol is CC(C)Oc1ccc(NCc2ccc(O)cn2)cc1Cl.
What is the InChIKey of 6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol?
The InChIKey is WZEAWNOPAFOGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10(2)20-15-6-4-11(7-14(15)16)17-8-12-3-5-13(19)9-18-12/h3-7,9-10,17,19H,8H2,1-2H3.
What are the key properties of 6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol?
6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol has a molecular weight of 292.77 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol is sourced from PubChem (CID 79781863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).