3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol

C15H25NO — CID 82074488

IUPAC3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol
SMILESCCN(CCC(O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H25NO/c1-5-16(15(2,3)4)12-11-14(17)13-9-7-6-8-10-13/h6-10,14,17H,5,11-12H2,1-4H3
InChIKeyRBSIMKMYAMFVDY-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.23
Rot. Bonds5

About 3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol

3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol (PubChem CID 82074488) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol
PubChem CID82074488
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol
SMILESCCN(CCC(O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H25NO/c1-5-16(15(2,3)4)12-11-14(17)13-9-7-6-8-10-13/h6-10,14,17H,5,11-12H2,1-4H3
InChIKeyRBSIMKMYAMFVDY-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 82073429
3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol
CID 62613917
3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol
CID 82074553
(1S)-1-phenylpentan-1-ol
CID 6992754
3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol
CID 79480920
3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol
CID 62613271
3-[2-(dimethylamino)ethyl-methylamino]-1-phenylpropan-1-ol
CID 63700698
N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide
CID 59648964
3-[methyl(2-methylpropyl)amino]-1-phenylpropan-1-ol
CID 62613916
(1R)-1-phenyloctan-1-ol
CID 12794259
3-[tert-butyl(2-phenylpropyl)amino]propanoic acid
CID 65058523
3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 62613763

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol (CID 82074488) is 3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol is CCN(CCC(O)c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol?
The InChIKey is RBSIMKMYAMFVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-16(15(2,3)4)12-11-14(17)13-9-7-6-8-10-13/h6-10,14,17H,5,11-12H2,1-4H3.
What are the key properties of 3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol?
3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 82074488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).