(2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol

C21H30N2O2 — CID 70462176

IUPAC(2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol
SMILESC[C@H](Cc1ccc(C[C@@H](C)N)cc1)NC[C@@H](O)COc1ccccc1
InChIInChI=1S/C21H30N2O2/c1-16(22)12-18-8-10-19(11-9-18)13-17(2)23-14-20(24)15-25-21-6-4-3-5-7-21/h3-11,16-17,20,23-24H,12-15,22H2,1-2H3/t16-,17-,20-/m1/s1
InChIKeyQRYFDNFGIGCTST-MBOZVWFJSA-N
MW342.48 g/mol
LogP2.54
Rot. Bonds10

About (2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol

(2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol (PubChem CID 70462176) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is (2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol
PubChem CID70462176
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name(2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol
SMILESC[C@H](Cc1ccc(C[C@@H](C)N)cc1)NC[C@@H](O)COc1ccccc1
InChIInChI=1S/C21H30N2O2/c1-16(22)12-18-8-10-19(11-9-18)13-17(2)23-14-20(24)15-25-21-6-4-3-5-7-21/h3-11,16-17,20,23-24H,12-15,22H2,1-2H3/t16-,17-,20-/m1/s1
InChIKeyQRYFDNFGIGCTST-MBOZVWFJSA-N
XLogP2.54
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid
CID 54335726
methyl 2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]acetate
CID 67905669
(3S)-3-[4-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]butanoic acid
CID 67905873
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-3-phenoxypropan-2-ol;hydrochloride
CID 3059176
1-(2-aminopropylamino)-3-phenoxypropan-2-ol
CID 54410968
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
methyl 2-[4-[2-[[2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]amino]propyl]phenoxy]acetate
CID 19690919
1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol
CID 44785149
1-(hexan-2-ylamino)-3-phenoxypropan-2-ol
CID 54196507
N-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl]phenyl]benzenesulfonamide
CID 19384973
N-[4-[(2S)-2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl]phenyl]benzenesulfonamide
CID 67809552
1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol
CID 64642817

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol (CID 70462176) is (2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol is C[C@H](Cc1ccc(C[C@@H](C)N)cc1)NC[C@@H](O)COc1ccccc1.
What is the InChIKey of (2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol?
The InChIKey is QRYFDNFGIGCTST-MBOZVWFJSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16(22)12-18-8-10-19(11-9-18)13-17(2)23-14-20(24)15-25-21-6-4-3-5-7-21/h3-11,16-17,20,23-24H,12-15,22H2,1-2H3/t16-,17-,20-/m1/s1.
What are the key properties of (2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol?
(2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol has a molecular weight of 342.48 g/mol, XLogP of 2.54, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 70462176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).