(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol

C18H23NO — CID 107862261

IUPAC(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
SMILESCC(C)C(N[C@H](CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(2)18(16-11-7-4-8-12-16)19-17(13-20)15-9-5-3-6-10-15/h3-12,14,17-20H,13H2,1-2H3/t17-,18?/m1/s1
InChIKeyMOZOTFQFOXGOHT-QNSVNVJESA-N
MW269.39 g/mol
LogP3.71
Rot. Bonds6

About (2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol

(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol (PubChem CID 107862261) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
PubChem CID107862261
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
SMILESCC(C)C(N[C@H](CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(2)18(16-11-7-4-8-12-16)19-17(13-20)15-9-5-3-6-10-15/h3-12,14,17-20H,13H2,1-2H3/t17-,18?/m1/s1
InChIKeyMOZOTFQFOXGOHT-QNSVNVJESA-N
XLogP3.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
(2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol
CID 103922515
(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161
2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile
CID 76810844
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187
(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 103729730
2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 55158261
(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol
CID 113350842
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol
CID 107706519

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol (CID 107862261) is (2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol is CC(C)C(N[C@H](CO)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol?
The InChIKey is MOZOTFQFOXGOHT-QNSVNVJESA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)18(16-11-7-4-8-12-16)19-17(13-20)15-9-5-3-6-10-15/h3-12,14,17-20H,13H2,1-2H3/t17-,18?/m1/s1.
What are the key properties of (2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol?
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol has a molecular weight of 269.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol is sourced from PubChem (CID 107862261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).