(2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol

C15H23NO — CID 102613780

IUPAC(2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol
SMILESC=CCCC(C)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C15H23NO/c1-3-4-8-13(2)16-15(12-17)11-14-9-6-5-7-10-14/h3,5-7,9-10,13,15-17H,1,4,8,11-12H2,2H3/t13?,15-/m0/s1
InChIKeyAIQVMEQJOVIVHG-WUJWULDRSA-N
MW233.36 g/mol
LogP2.53
Rot. Bonds8

About (2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol

(2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol (PubChem CID 102613780) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol
PubChem CID102613780
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol
SMILESC=CCCC(C)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C15H23NO/c1-3-4-8-13(2)16-15(12-17)11-14-9-6-5-7-10-14/h3,5-7,9-10,13,15-17H,1,4,8,11-12H2,2H3/t13?,15-/m0/s1
InChIKeyAIQVMEQJOVIVHG-WUJWULDRSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(pentan-2-ylamino)-3-phenylpropan-1-ol
CID 63260839
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
(2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol
CID 104926136
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 103522475
(2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol
CID 102613762
2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile
CID 63261459
(2R)-N-benzylhex-5-en-2-amine
CID 97107585
(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide
CID 10857796
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 104926148
(2S)-2-(hept-6-en-3-ylamino)-3-phenylpropanoic acid
CID 122037658
(2S)-1-phenylhex-5-en-2-ol
CID 102339258

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol (CID 102613780) is (2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol is C=CCCC(C)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of (2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol?
The InChIKey is AIQVMEQJOVIVHG-WUJWULDRSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-4-8-13(2)16-15(12-17)11-14-9-6-5-7-10-14/h3,5-7,9-10,13,15-17H,1,4,8,11-12H2,2H3/t13?,15-/m0/s1.
What are the key properties of (2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol?
(2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 102613780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).