1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol

C16H19ClN2O2 — CID 60635632

IUPAC1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
SMILESOC(CNCCc1ccccn1)COc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O2/c17-13-4-6-16(7-5-13)21-12-15(20)11-18-10-8-14-3-1-2-9-19-14/h1-7,9,15,18,20H,8,10-12H2
InChIKeyBRWXIFRTDOJQIB-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.31
Rot. Bonds8

About 1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol

1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol (PubChem CID 60635632) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
PubChem CID60635632
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
SMILESOC(CNCCc1ccccn1)COc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O2/c17-13-4-6-16(7-5-13)21-12-15(20)11-18-10-8-14-3-1-2-9-19-14/h1-7,9,15,18,20H,8,10-12H2
InChIKeyBRWXIFRTDOJQIB-UHFFFAOYSA-N
XLogP2.31
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
(2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 140879411
1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633719
1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635323
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate
CID 115123641
1-(4-chlorophenoxy)-3-(3,3-dimethylbutylamino)propan-2-ol
CID 115581085
1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 103157099
1-(4-chloro-3-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633671
1-(4-chlorophenoxy)-3-[(2-chlorophenyl)methylamino]propan-2-ol
CID 60635463
1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 101479636
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol (CID 60635632) is 1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol is OC(CNCCc1ccccn1)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol?
The InChIKey is BRWXIFRTDOJQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-13-4-6-16(7-5-13)21-12-15(20)11-18-10-8-14-3-1-2-9-19-14/h1-7,9,15,18,20H,8,10-12H2.
What are the key properties of 1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol?
1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol has a molecular weight of 306.79 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol is sourced from PubChem (CID 60635632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).