3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol

C15H25NO — CID 62613917

IUPAC3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol
SMILESCCC(C)N(CC)CCC(O)c1ccccc1
InChIInChI=1S/C15H25NO/c1-4-13(3)16(5-2)12-11-15(17)14-9-7-6-8-10-14/h6-10,13,15,17H,4-5,11-12H2,1-3H3
InChIKeyQNDQBQMXGBESSS-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.23
Rot. Bonds7

About 3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol

3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol (PubChem CID 62613917) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol
PubChem CID62613917
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol
SMILESCCC(C)N(CC)CCC(O)c1ccccc1
InChIInChI=1S/C15H25NO/c1-4-13(3)16(5-2)12-11-15(17)14-9-7-6-8-10-14/h6-10,13,15,17H,4-5,11-12H2,1-3H3
InChIKeyQNDQBQMXGBESSS-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 62613763
3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol
CID 79480920
N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine
CID 63321755
3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol
CID 82074488
3-[methyl(2-methylpropyl)amino]-1-phenylpropan-1-ol
CID 62613916
3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol
CID 63489960
1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol
CID 103191448
(4R)-1-phenylpentane-1,4-diol
CID 13204353
(1S)-1-phenylpentan-1-ol
CID 6992754
1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 62617478
3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol
CID 62613271
1-phenylpropan-1-ol;hydrate
CID 156782934

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol (CID 62613917) is 3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol is CCC(C)N(CC)CCC(O)c1ccccc1.
What is the InChIKey of 3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol?
The InChIKey is QNDQBQMXGBESSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-13(3)16(5-2)12-11-15(17)14-9-7-6-8-10-14/h6-10,13,15,17H,4-5,11-12H2,1-3H3.
What are the key properties of 3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol?
3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 62613917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).