2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol

C19H25NO — CID 115690807

IUPAC2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
SMILESCC(C)(CCc1ccccc1)NCC(O)c1ccccc1
InChIInChI=1S/C19H25NO/c1-19(2,14-13-16-9-5-3-6-10-16)20-15-18(21)17-11-7-4-8-12-17/h3-12,18,20-21H,13-15H2,1-2H3
InChIKeyUZJAGQRJVKLQPG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.72
Rot. Bonds7

About 2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol

2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol (PubChem CID 115690807) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
PubChem CID115690807
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
SMILESCC(C)(CCc1ccccc1)NCC(O)c1ccccc1
InChIInChI=1S/C19H25NO/c1-19(2,14-13-16-9-5-3-6-10-16)20-15-18(21)17-11-7-4-8-12-17/h3-12,18,20-21H,13-15H2,1-2H3
InChIKeyUZJAGQRJVKLQPG-UHFFFAOYSA-N
XLogP3.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol
CID 13079634
3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol
CID 12855751
hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride
CID 67107982
2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine
CID 114448948
(2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol
CID 70658760
N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369
1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol
CID 12855748
N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide
CID 103822680
N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide
CID 22769489
(1S)-1-phenyl-2-(tritylamino)ethanol
CID 69267924
N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine
CID 113231354
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol?
The IUPAC name of 2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol (CID 115690807) is 2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol is CC(C)(CCc1ccccc1)NCC(O)c1ccccc1.
What is the InChIKey of 2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol?
The InChIKey is UZJAGQRJVKLQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-19(2,14-13-16-9-5-3-6-10-16)20-15-18(21)17-11-7-4-8-12-17/h3-12,18,20-21H,13-15H2,1-2H3.
What are the key properties of 2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol?
2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol has a molecular weight of 283.42 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol is sourced from PubChem (CID 115690807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).