(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol

C15H25NO — CID 104980386

IUPAC(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol
SMILESCCc1ccc(C(CC)N[C@@H](CC)CO)cc1
InChIInChI=1S/C15H25NO/c1-4-12-7-9-13(10-8-12)15(6-3)16-14(5-2)11-17/h7-10,14-17H,4-6,11H2,1-3H3/t14-,15?/m0/s1
InChIKeyIPFXSLVAQBLQFQ-MLCCFXAWSA-N
MW235.37 g/mol
LogP3.06
Rot. Bonds7

About (2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol

(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol (PubChem CID 104980386) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol
PubChem CID104980386
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol
SMILESCCc1ccc(C(CC)N[C@@H](CC)CO)cc1
InChIInChI=1S/C15H25NO/c1-4-12-7-9-13(10-8-12)15(6-3)16-14(5-2)11-17/h7-10,14-17H,4-6,11H2,1-3H3/t14-,15?/m0/s1
InChIKeyIPFXSLVAQBLQFQ-MLCCFXAWSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
3-[1-(4-ethylphenyl)propylamino]pentanenitrile
CID 62648007
N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866
(2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol
CID 113352309
3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol
CID 106348919
(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 113352326
methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate
CID 43723542
2-(4-ethylphenyl)propane-1,3-diol
CID 14527849
2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol
CID 106250977
(2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol
CID 103922455
2-[(3,3,3-trifluoro-1-phenylpropyl)amino]butan-1-ol
CID 43771162
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol?
The IUPAC name of (2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol (CID 104980386) is (2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol is CCc1ccc(C(CC)N[C@@H](CC)CO)cc1.
What is the InChIKey of (2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol?
The InChIKey is IPFXSLVAQBLQFQ-MLCCFXAWSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-12-7-9-13(10-8-12)15(6-3)16-14(5-2)11-17/h7-10,14-17H,4-6,11H2,1-3H3/t14-,15?/m0/s1.
What are the key properties of (2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol?
(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol is sourced from PubChem (CID 104980386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).