(2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol

C15H22ClNO2 — CID 39840286

IUPAC(2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
SMILESCc1cc(OC[C@H](O)CN[C@H](C)C2CC2)ccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-10-7-14(5-6-15(10)16)19-9-13(18)8-17-11(2)12-3-4-12/h5-7,11-13,17-18H,3-4,8-9H2,1-2H3/t11-,13-/m1/s1
InChIKeyFFPIEKXCBNEKRO-DGCLKSJQSA-N
MW283.80 g/mol
LogP2.78
Rot. Bonds7

About (2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol

(2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol (PubChem CID 39840286) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
PubChem CID39840286
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
SMILESCc1cc(OC[C@H](O)CN[C@H](C)C2CC2)ccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-10-7-14(5-6-15(10)16)19-9-13(18)8-17-11(2)12-3-4-12/h5-7,11-13,17-18H,3-4,8-9H2,1-2H3/t11-,13-/m1/s1
InChIKeyFFPIEKXCBNEKRO-DGCLKSJQSA-N
XLogP2.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol
CID 54938847
1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463569
1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713365
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
1-(4-chloro-3-methylphenoxy)-3-(2,3-dimethylbutylamino)propan-2-ol
CID 64571131
1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 54938516
1-(4-chloro-3-methylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62639947
1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride
CID 2770422
1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea
CID 119060836
1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol
CID 60901313
1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol
CID 81395650

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol (CID 39840286) is (2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol is Cc1cc(OC[C@H](O)CN[C@H](C)C2CC2)ccc1Cl.
What is the InChIKey of (2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol?
The InChIKey is FFPIEKXCBNEKRO-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-10-7-14(5-6-15(10)16)19-9-13(18)8-17-11(2)12-3-4-12/h5-7,11-13,17-18H,3-4,8-9H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of (2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol?
(2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol has a molecular weight of 283.80 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol is sourced from PubChem (CID 39840286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).