(2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol

C18H23NO — CID 103788766

IUPAC(2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol
SMILESCCC(Cc1ccccc1)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C18H23NO/c1-2-17(13-15-9-5-3-6-10-15)19-18(14-20)16-11-7-4-8-12-16/h3-12,17-20H,2,13-14H2,1H3/t17?,18-/m0/s1
InChIKeyUJIJOKSOCNTUJJ-ZVAWYAOSSA-N
MW269.39 g/mol
LogP3.33
Rot. Bonds7

About (2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol

(2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol (PubChem CID 103788766) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol
PubChem CID103788766
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol
SMILESCCC(Cc1ccccc1)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C18H23NO/c1-2-17(13-15-9-5-3-6-10-15)19-18(14-20)16-11-7-4-8-12-16/h3-12,17-20H,2,13-14H2,1H3/t17?,18-/m0/s1
InChIKeyUJIJOKSOCNTUJJ-ZVAWYAOSSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187
2-[(2-methoxy-1-phenylethyl)amino]-3-phenylpropan-1-ol
CID 103464251
2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol
CID 63260675
(2R)-2-(1,2-diphenylethylamino)propan-1-ol
CID 114986946
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
(2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]butane-1,4-diol
CID 15449405
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
CID 103784133
2-[(3,3,3-trifluoro-1-phenylpropyl)amino]butan-1-ol
CID 43771162
(2S)-2-phenyl-2-[[(1S)-2-phenyl-1-(1H-pyrrol-2-yl)ethyl]amino]ethanol
CID 24744115
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol
CID 103522284

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol?
The IUPAC name of (2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol (CID 103788766) is (2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol.
What is the SMILES notation for (2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol?
The canonical SMILES for (2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol is CCC(Cc1ccccc1)N[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol?
The InChIKey is UJIJOKSOCNTUJJ-ZVAWYAOSSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-17(13-15-9-5-3-6-10-15)19-18(14-20)16-11-7-4-8-12-16/h3-12,17-20H,2,13-14H2,1H3/t17?,18-/m0/s1.
What are the key properties of (2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol?
(2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol has a molecular weight of 269.39 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol is sourced from PubChem (CID 103788766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).