4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol

C15H25NO — CID 103717042

IUPAC4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
SMILESCC(NCC(O)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H25NO/c1-12(13-8-6-5-7-9-13)16-11-14(17)10-15(2,3)4/h5-9,12,14,16-17H,10-11H2,1-4H3
InChIKeyWBPWIJDZDIETNU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.13
Rot. Bonds5

About 4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol

4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol (PubChem CID 103717042) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
PubChem CID103717042
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
SMILESCC(NCC(O)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H25NO/c1-12(13-8-6-5-7-9-13)16-11-14(17)10-15(2,3)4/h5-9,12,14,16-17H,10-11H2,1-4H3
InChIKeyWBPWIJDZDIETNU-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol
CID 103910841
4,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol
CID 103717034
4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol
CID 103784440
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 8741564
1-chloro-3-(1-phenylethylamino)propan-2-ol
CID 14089777
4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol
CID 107151412
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729747

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol (CID 103717042) is 4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol is CC(NCC(O)CC(C)(C)C)c1ccccc1.
What is the InChIKey of 4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol?
The InChIKey is WBPWIJDZDIETNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(13-8-6-5-7-9-13)16-11-14(17)10-15(2,3)4/h5-9,12,14,16-17H,10-11H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol?
4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol is sourced from PubChem (CID 103717042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).