1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

C17H27NO3 — CID 21152244

IUPAC1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCOC(c1ccc(OCC(O)CNC(C)C)cc1)C1CC1
InChIInChI=1S/C17H27NO3/c1-12(2)18-10-15(19)11-21-16-8-6-14(7-9-16)17(20-3)13-4-5-13/h6-9,12-13,15,17-19H,4-5,10-11H2,1-3H3
InChIKeyQIUIDCILQMJBRM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.52
Rot. Bonds9

About 1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 21152244) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID21152244
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCOC(c1ccc(OCC(O)CNC(C)C)cc1)C1CC1
InChIInChI=1S/C17H27NO3/c1-12(2)18-10-15(19)11-21-16-8-6-14(7-9-16)17(20-3)13-4-5-13/h6-9,12-13,15,17-19H,4-5,10-11H2,1-3H3
InChIKeyQIUIDCILQMJBRM-UHFFFAOYSA-N
XLogP2.52
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol with MolForge

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Related Compounds

1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
(2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 12760476
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol
CID 54938847
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255
(2S)-1-[4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 14550295
1-(propan-2-ylamino)-3-[4-(3-propan-2-yloxypropoxy)phenoxy]propan-2-ol
CID 177126524

Frequently Asked Questions

What is the IUPAC name of 1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 21152244) is 1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol is COC(c1ccc(OCC(O)CNC(C)C)cc1)C1CC1.
What is the InChIKey of 1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is QIUIDCILQMJBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)18-10-15(19)11-21-16-8-6-14(7-9-16)17(20-3)13-4-5-13/h6-9,12-13,15,17-19H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 21152244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).