2-amino-3-phenylpropan-1-ol;butan-1-ol

C13H23NO2 — CID 174635361

IUPAC2-amino-3-phenylpropan-1-ol;butan-1-ol
SMILESCCCCO.NC(CO)Cc1ccccc1
InChIInChI=1S/C9H13NO.C4H10O/c10-9(7-11)6-8-4-2-1-3-5-8;1-2-3-4-5/h1-5,9,11H,6-7,10H2;5H,2-4H2,1H3
InChIKeyRFLFIHBGJHMJCH-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.33
Rot. Bonds5

About 2-amino-3-phenylpropan-1-ol;butan-1-ol

2-amino-3-phenylpropan-1-ol;butan-1-ol (PubChem CID 174635361) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-amino-3-phenylpropan-1-ol;butan-1-ol.

Molecular Properties

Compound Name2-amino-3-phenylpropan-1-ol;butan-1-ol
PubChem CID174635361
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-amino-3-phenylpropan-1-ol;butan-1-ol
SMILESCCCCO.NC(CO)Cc1ccccc1
InChIInChI=1S/C9H13NO.C4H10O/c10-9(7-11)6-8-4-2-1-3-5-8;1-2-3-4-5/h1-5,9,11H,6-7,10H2;5H,2-4H2,1H3
InChIKeyRFLFIHBGJHMJCH-UHFFFAOYSA-N
XLogP1.33
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(3S)-3-benzylheptan-1-ol
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(2S)-1-N,1-N-dioctyl-3-phenylpropane-1,2-diamine
CID 102052520
2-benzyloctadecan-1-ol
CID 67814123
benzene;butan-1-ol;toluene
CID 163426889
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
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hydrogen peroxide;2-methyldodecylbenzene
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylpropan-1-ol;butan-1-ol?
The IUPAC name of 2-amino-3-phenylpropan-1-ol;butan-1-ol (CID 174635361) is 2-amino-3-phenylpropan-1-ol;butan-1-ol.
What is the SMILES notation for 2-amino-3-phenylpropan-1-ol;butan-1-ol?
The canonical SMILES for 2-amino-3-phenylpropan-1-ol;butan-1-ol is CCCCO.NC(CO)Cc1ccccc1.
What is the InChIKey of 2-amino-3-phenylpropan-1-ol;butan-1-ol?
The InChIKey is RFLFIHBGJHMJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C4H10O/c10-9(7-11)6-8-4-2-1-3-5-8;1-2-3-4-5/h1-5,9,11H,6-7,10H2;5H,2-4H2,1H3.
What are the key properties of 2-amino-3-phenylpropan-1-ol;butan-1-ol?
2-amino-3-phenylpropan-1-ol;butan-1-ol has a molecular weight of 225.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylpropan-1-ol;butan-1-ol is sourced from PubChem (CID 174635361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).