(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol

C18H22BrNO — CID 103522475

IUPAC(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
SMILESCC(Cc1ccc(Br)cc1)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C18H22BrNO/c1-14(11-16-7-9-17(19)10-8-16)20-18(13-21)12-15-5-3-2-4-6-15/h2-10,14,18,20-21H,11-13H2,1H3/t14?,18-/m1/s1
InChIKeyFLYRWLIUPNHDOC-XPKAQORNSA-N
MW348.28 g/mol
LogP3.57
Rot. Bonds7

About (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol

(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol (PubChem CID 103522475) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
PubChem CID103522475
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
SMILESCC(Cc1ccc(Br)cc1)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C18H22BrNO/c1-14(11-16-7-9-17(19)10-8-16)20-18(13-21)12-15-5-3-2-4-6-15/h2-10,14,18,20-21H,11-13H2,1H3/t14?,18-/m1/s1
InChIKeyFLYRWLIUPNHDOC-XPKAQORNSA-N
XLogP3.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol
CID 103522284
2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol
CID 103522264
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 104926148
2-(pentan-2-ylamino)-3-phenylpropan-1-ol
CID 63260839
2-[1-(3-bromophenyl)propan-2-ylamino]propane-1,3-diol
CID 115724199
2-(4-bromoanilino)-3-phenylpropan-1-ol
CID 61049860
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260856
(2R)-2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol
CID 107860710
2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol
CID 115705338
(2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol
CID 102613780

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol (CID 103522475) is (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol is CC(Cc1ccc(Br)cc1)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol?
The InChIKey is FLYRWLIUPNHDOC-XPKAQORNSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-14(11-16-7-9-17(19)10-8-16)20-18(13-21)12-15-5-3-2-4-6-15/h2-10,14,18,20-21H,11-13H2,1H3/t14?,18-/m1/s1.
What are the key properties of (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol?
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol has a molecular weight of 348.28 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 103522475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).