1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol

C14H20ClNO2 — CID 114616799

IUPAC1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol
SMILESC=C(C)CNCC(O)COCc1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-11(2)7-16-8-13(17)10-18-9-12-5-3-4-6-14(12)15/h3-6,13,16-17H,1,7-10H2,2H3
InChIKeyCCHOYCAXWCCNOO-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.38
Rot. Bonds8

About 1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol

1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol (PubChem CID 114616799) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol
PubChem CID114616799
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol
SMILESC=C(C)CNCC(O)COCc1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-11(2)7-16-8-13(17)10-18-9-12-5-3-4-6-14(12)15/h3-6,13,16-17H,1,7-10H2,2H3
InChIKeyCCHOYCAXWCCNOO-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2-chlorophenyl)methoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 7998352
1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol
CID 115325367
1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 60633320
1-[(2-chlorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469297
1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol
CID 43090643
2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517459
1-[(2-chlorophenyl)methoxy]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
CID 61014471
methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
CID 61499471
1-[(2-chlorophenyl)methoxy]-3-[(1-methoxy-3-methylbutan-2-yl)amino]propan-2-ol
CID 65049569
1-[(2-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
CID 106398326
1-[(2-chlorophenyl)methoxy]-3-(2-fluoroanilino)propan-2-ol
CID 60896667
1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616793

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol?
The IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol (CID 114616799) is 1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol is C=C(C)CNCC(O)COCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol?
The InChIKey is CCHOYCAXWCCNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11(2)7-16-8-13(17)10-18-9-12-5-3-4-6-14(12)15/h3-6,13,16-17H,1,7-10H2,2H3.
What are the key properties of 1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol?
1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol has a molecular weight of 269.77 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol is sourced from PubChem (CID 114616799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).