1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol

C14H20ClNO2 — CID 113465593

IUPAC1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol
SMILESC/C=C/CCNCC(O)COc1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-2-3-6-9-16-10-12(17)11-18-14-8-5-4-7-13(14)15/h2-5,7-8,12,16-17H,6,9-11H2,1H3/b3-2+
InChIKeyGTAIOYDLQRKYNN-NSCUHMNNSA-N
MW269.77 g/mol
LogP2.64
Rot. Bonds8

About 1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol

1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol (PubChem CID 113465593) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol
PubChem CID113465593
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol
SMILESC/C=C/CCNCC(O)COc1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-2-3-6-9-16-10-12(17)11-18-14-8-5-4-7-13(14)15/h2-5,7-8,12,16-17H,6,9-11H2,1H3/b3-2+
InChIKeyGTAIOYDLQRKYNN-NSCUHMNNSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160245
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea
CID 83121783
1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61462609
1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
CID 60898981
3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane
CID 155698850
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106147203
1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247148
1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106147644
(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol
CID 2141740
1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106254970
1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
CID 112768285
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517973

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol?
The IUPAC name of 1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol (CID 113465593) is 1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol?
The canonical SMILES for 1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol is C/C=C/CCNCC(O)COc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol?
The InChIKey is GTAIOYDLQRKYNN-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-2-3-6-9-16-10-12(17)11-18-14-8-5-4-7-13(14)15/h2-5,7-8,12,16-17H,6,9-11H2,1H3/b3-2+.
What are the key properties of 1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol?
1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol has a molecular weight of 269.77 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol is sourced from PubChem (CID 113465593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).