(2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol

C19H23BrClNO2 — CID 2561544

IUPAC(2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol
SMILESCC[C@H](NC[C@@H](O)COCc1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrClNO2/c1-2-19(14-7-9-16(20)10-8-14)22-11-17(23)13-24-12-15-5-3-4-6-18(15)21/h3-10,17,19,22-23H,2,11-13H2,1H3/t17-,19+/m1/s1
InChIKeyCOPLWPMLFGPMNU-MJGOQNOKSA-N
MW412.76 g/mol
LogP4.72
Rot. Bonds9

About (2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol

(2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol (PubChem CID 2561544) has the molecular formula C19H23BrClNO2 and a molecular weight of 412.76 g/mol. Its IUPAC name is (2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol
PubChem CID2561544
Molecular FormulaC19H23BrClNO2
Molecular Weight412.76 g/mol
Exact Mass411.06
IUPAC Name(2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol
SMILESCC[C@H](NC[C@@H](O)COCc1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrClNO2/c1-2-19(14-7-9-16(20)10-8-14)22-11-17(23)13-24-12-15-5-3-4-6-18(15)21/h3-10,17,19,22-23H,2,11-13H2,1H3/t17-,19+/m1/s1
InChIKeyCOPLWPMLFGPMNU-MJGOQNOKSA-N
XLogP4.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.76
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol with MolForge

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Related Compounds

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
(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 2118266
1-[1-(4-bromophenyl)propylamino]butan-2-ol
CID 115899581
(2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol
CID 40654769
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
2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517459
1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
CID 138960082
1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616799
1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol
CID 107151396
1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62306419

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol?
The IUPAC name of (2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol (CID 2561544) is (2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol is CC[C@H](NC[C@@H](O)COCc1ccccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of (2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol?
The InChIKey is COPLWPMLFGPMNU-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H23BrClNO2/c1-2-19(14-7-9-16(20)10-8-14)22-11-17(23)13-24-12-15-5-3-4-6-18(15)21/h3-10,17,19,22-23H,2,11-13H2,1H3/t17-,19+/m1/s1.
What are the key properties of (2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol?
(2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol has a molecular weight of 412.76 g/mol, XLogP of 4.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol is sourced from PubChem (CID 2561544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).