1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol

C15H18ClN3O2 — CID 60970538

IUPAC1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
SMILESCc1nccc(CNCC(O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H18ClN3O2/c1-11-18-7-6-13(19-11)8-17-9-14(20)10-21-15-4-2-12(16)3-5-15/h2-7,14,17,20H,8-10H2,1H3
InChIKeyQTBMNZKSFJLQSN-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.97
Rot. Bonds7

About 1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol

1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol (PubChem CID 60970538) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
PubChem CID60970538
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
SMILESCc1nccc(CNCC(O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H18ClN3O2/c1-11-18-7-6-13(19-11)8-17-9-14(20)10-21-15-4-2-12(16)3-5-15/h2-7,14,17,20H,8-10H2,1H3
InChIKeyQTBMNZKSFJLQSN-UHFFFAOYSA-N
XLogP1.97
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 60970855
1-(4-chlorophenoxy)-3-[(3-methyl-4-pyridinyl)methylamino]propan-2-ol
CID 114699701
4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
CID 107151555
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60632821
1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 115989757
1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633719
1-(4-chlorophenoxy)-3-[(2-chlorophenyl)methylamino]propan-2-ol
CID 60635463
3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
CID 106284785
1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635632
1-(4-chlorophenoxy)-3-(3,3-dimethylbutylamino)propan-2-ol
CID 115581085
2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 106171849

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol (CID 60970538) is 1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol is Cc1nccc(CNCC(O)COc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol?
The InChIKey is QTBMNZKSFJLQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-11-18-7-6-13(19-11)8-17-9-14(20)10-21-15-4-2-12(16)3-5-15/h2-7,14,17,20H,8-10H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol?
1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol has a molecular weight of 307.78 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 60970538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).