3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol

C19H25NO — CID 115720487

IUPAC3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol
SMILESCC(NCC(O)C(C)C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-14(2)19(21)13-20-15(3)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,14-15,19-21H,13H2,1-3H3
InChIKeyDDOJHPLLALFRHU-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.02
Rot. Bonds6

About 3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol

3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol (PubChem CID 115720487) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol
PubChem CID115720487
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol
SMILESCC(NCC(O)C(C)C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-14(2)19(21)13-20-15(3)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,14-15,19-21H,13H2,1-3H3
InChIKeyDDOJHPLLALFRHU-UHFFFAOYSA-N
XLogP4.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine
CID 64570250
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825
1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954039
3-methyl-2-[1-(4-phenylphenyl)ethylamino]butan-1-ol
CID 79236662
N-methyl-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 43214687
1-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-2-ol
CID 111755606
1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol
CID 113261628
1-chloro-3-(1-phenylethylamino)propan-2-ol
CID 14089777

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol?
The IUPAC name of 3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol (CID 115720487) is 3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol?
The canonical SMILES for 3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol is CC(NCC(O)C(C)C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol?
The InChIKey is DDOJHPLLALFRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)19(21)13-20-15(3)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,14-15,19-21H,13H2,1-3H3.
What are the key properties of 3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol?
3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol has a molecular weight of 283.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol is sourced from PubChem (CID 115720487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).