1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol

C16H19ClN2O2 — CID 60633949

IUPAC1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol
SMILESCc1cc(OCC(O)CNCc2cccnc2)ccc1Cl
InChIInChI=1S/C16H19ClN2O2/c1-12-7-15(4-5-16(12)17)21-11-14(20)10-19-9-13-3-2-6-18-8-13/h2-8,14,19-20H,9-11H2,1H3
InChIKeyCVCJCASJULULGX-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.57
Rot. Bonds7

About 1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol

1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol (PubChem CID 60633949) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol
PubChem CID60633949
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol
SMILESCc1cc(OCC(O)CNCc2cccnc2)ccc1Cl
InChIInChI=1S/C16H19ClN2O2/c1-12-7-15(4-5-16(12)17)21-11-14(20)10-19-9-13-3-2-6-18-8-13/h2-8,14,19-20H,9-11H2,1H3
InChIKeyCVCJCASJULULGX-UHFFFAOYSA-N
XLogP2.57
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol 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

1-(4-chloro-3-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633671
N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide
CID 56757268
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
(2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
CID 41300610
1-(4-chloro-3-methylphenoxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 62523170
1-(4-chloro-3-methylphenoxy)-3-(2,3-dimethylbutylamino)propan-2-ol
CID 64571131
1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 60908884
(2S)-1-(4-chloro-3-methylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39372938
(2R)-1-(butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol
CID 7013121
(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 890845
1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol
CID 114941799

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol (CID 60633949) is 1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol is Cc1cc(OCC(O)CNCc2cccnc2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol?
The InChIKey is CVCJCASJULULGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-12-7-15(4-5-16(12)17)21-11-14(20)10-19-9-13-3-2-6-18-8-13/h2-8,14,19-20H,9-11H2,1H3.
What are the key properties of 1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol?
1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol has a molecular weight of 306.79 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 60633949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).