(3R)-5-(ethylamino)-3-phenylpentan-1-ol

C13H21NO — CID 99992328

IUPAC(3R)-5-(ethylamino)-3-phenylpentan-1-ol
SMILESCCNCC[C@H](CCO)c1ccccc1
InChIInChI=1S/C13H21NO/c1-2-14-10-8-13(9-11-15)12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3/t13-/m1/s1
InChIKeyMZDAUXSVJZKTDF-CYBMUJFWSA-N
MW207.32 g/mol
LogP2.15
Rot. Bonds7

About (3R)-5-(ethylamino)-3-phenylpentan-1-ol

(3R)-5-(ethylamino)-3-phenylpentan-1-ol (PubChem CID 99992328) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3R)-5-(ethylamino)-3-phenylpentan-1-ol.

Molecular Properties

Compound Name(3R)-5-(ethylamino)-3-phenylpentan-1-ol
PubChem CID99992328
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3R)-5-(ethylamino)-3-phenylpentan-1-ol
SMILESCCNCC[C@H](CCO)c1ccccc1
InChIInChI=1S/C13H21NO/c1-2-14-10-8-13(9-11-15)12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3/t13-/m1/s1
InChIKeyMZDAUXSVJZKTDF-CYBMUJFWSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-(ethylamino)-3-phenylpentan-1-ol?
The IUPAC name of (3R)-5-(ethylamino)-3-phenylpentan-1-ol (CID 99992328) is (3R)-5-(ethylamino)-3-phenylpentan-1-ol.
What is the SMILES notation for (3R)-5-(ethylamino)-3-phenylpentan-1-ol?
The canonical SMILES for (3R)-5-(ethylamino)-3-phenylpentan-1-ol is CCNCC[C@H](CCO)c1ccccc1.
What is the InChIKey of (3R)-5-(ethylamino)-3-phenylpentan-1-ol?
The InChIKey is MZDAUXSVJZKTDF-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-14-10-8-13(9-11-15)12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-5-(ethylamino)-3-phenylpentan-1-ol?
(3R)-5-(ethylamino)-3-phenylpentan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(ethylamino)-3-phenylpentan-1-ol is sourced from PubChem (CID 99992328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).