(3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol

C21H21NO3 — CID 171198479

IUPAC(3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol
SMILESN[C@H](CCO)c1ccc(Oc2ccccc2)c(Oc2ccccc2)c1
InChIInChI=1S/C21H21NO3/c22-19(13-14-23)16-11-12-20(24-17-7-3-1-4-8-17)21(15-16)25-18-9-5-2-6-10-18/h1-12,15,19,23H,13-14,22H2/t19-/m1/s1
InChIKeyFUTYVXCNPMITNG-LJQANCHMSA-N
MW335.40 g/mol
LogP4.65
Rot. Bonds7

About (3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol

(3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol (PubChem CID 171198479) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is (3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol
PubChem CID171198479
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name(3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol
SMILESN[C@H](CCO)c1ccc(Oc2ccccc2)c(Oc2ccccc2)c1
InChIInChI=1S/C21H21NO3/c22-19(13-14-23)16-11-12-20(24-17-7-3-1-4-8-17)21(15-16)25-18-9-5-2-6-10-18/h1-12,15,19,23H,13-14,22H2/t19-/m1/s1
InChIKeyFUTYVXCNPMITNG-LJQANCHMSA-N
XLogP4.65
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-amino-4-(3,4-diphenoxyphenyl)butan-1-ol;hydrochloride
CID 171198482
(1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine
CID 171217937
(1S)-1-(3,4-diphenoxyphenyl)propan-1-amine
CID 171217949
(1R)-1-(3,4-diphenoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171198444
(1S)-1-(3,4-diphenoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171217962
methyl (3S)-3-amino-3-(3,4-diphenoxyphenyl)propanoate
CID 171238957
(3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol
CID 171238973
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170875135
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879
(3S)-3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
CID 171230054
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol (CID 171198479) is (3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol is N[C@H](CCO)c1ccc(Oc2ccccc2)c(Oc2ccccc2)c1.
What is the InChIKey of (3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol?
The InChIKey is FUTYVXCNPMITNG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21NO3/c22-19(13-14-23)16-11-12-20(24-17-7-3-1-4-8-17)21(15-16)25-18-9-5-2-6-10-18/h1-12,15,19,23H,13-14,22H2/t19-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol?
(3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol has a molecular weight of 335.40 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol is sourced from PubChem (CID 171198479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).