1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid

C17H24ClNO6 — CID 126456729

IUPAC1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid
SMILESO=C(O)C(=O)O.OC(CNC1CCCC1)COCc1ccccc1Cl
InChIInChI=1S/C15H22ClNO2.C2H2O4/c16-15-8-4-1-5-12(15)10-19-11-14(18)9-17-13-6-2-3-7-13;3-1(4)2(5)6/h1,4-5,8,13-14,17-18H,2-3,6-7,9-11H2;(H,3,4)(H,5,6)
InChIKeyHUYFUAYGRVSMAS-UHFFFAOYSA-N
MW373.83 g/mol
LogP1.91
Rot. Bonds7

About 1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid

1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid (PubChem CID 126456729) has the molecular formula C17H24ClNO6 and a molecular weight of 373.83 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid
PubChem CID126456729
Molecular FormulaC17H24ClNO6
Molecular Weight373.83 g/mol
Exact Mass373.13
IUPAC Name1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid
SMILESO=C(O)C(=O)O.OC(CNC1CCCC1)COCc1ccccc1Cl
InChIInChI=1S/C15H22ClNO2.C2H2O4/c16-15-8-4-1-5-12(15)10-19-11-14(18)9-17-13-6-2-3-7-13;3-1(4)2(5)6/h1,4-5,8,13-14,17-18H,2-3,6-7,9-11H2;(H,3,4)(H,5,6)
InChIKeyHUYFUAYGRVSMAS-UHFFFAOYSA-N
XLogP1.91
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.83
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol
CID 43090643
(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]propan-2-ol
CID 2093688
(2R)-1-[(2-chlorophenyl)methoxy]-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]propan-2-ol
CID 2093686
1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 3604770
1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
CID 60635580
methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
CID 61499471
(2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 7984944
2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517459
1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 60633320
1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 110882396
1-[(2-chlorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469297
1-[(2-chlorophenyl)methoxy]-3-(2-fluoroanilino)propan-2-ol
CID 60896667

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid?
The IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid (CID 126456729) is 1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid.
What is the SMILES notation for 1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid?
The canonical SMILES for 1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid is O=C(O)C(=O)O.OC(CNC1CCCC1)COCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid?
The InChIKey is HUYFUAYGRVSMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2.C2H2O4/c16-15-8-4-1-5-12(15)10-19-11-14(18)9-17-13-6-2-3-7-13;3-1(4)2(5)6/h1,4-5,8,13-14,17-18H,2-3,6-7,9-11H2;(H,3,4)(H,5,6).
What are the key properties of 1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid?
1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid has a molecular weight of 373.83 g/mol, XLogP of 1.91, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid is sourced from PubChem (CID 126456729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).