(1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol

C14H24N2O — CID 93032029

IUPAC(1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol
SMILESCCN(CC)CCNC[C@@H](O)c1ccccc1
InChIInChI=1S/C14H24N2O/c1-3-16(4-2)11-10-15-12-14(17)13-8-6-5-7-9-13/h5-9,14-15,17H,3-4,10-12H2,1-2H3/t14-/m1/s1
InChIKeyIALGDXRXMJRVGD-CQSZACIVSA-N
MW236.36 g/mol
LogP1.65
Rot. Bonds8

About (1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol

(1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol (PubChem CID 93032029) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol
PubChem CID93032029
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol
SMILESCCN(CC)CCNC[C@@H](O)c1ccccc1
InChIInChI=1S/C14H24N2O/c1-3-16(4-2)11-10-15-12-14(17)13-8-6-5-7-9-13/h5-9,14-15,17H,3-4,10-12H2,1-2H3/t14-/m1/s1
InChIKeyIALGDXRXMJRVGD-CQSZACIVSA-N
XLogP1.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol
CID 62642687
1-(diethylamino)-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
CID 60710601
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide
CID 61013662
(1S)-2-(hexylamino)-1-phenylethanol
CID 102581936
2-(3-methylbut-3-enylamino)-1-phenylethanol
CID 114472041
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol
CID 115279452
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-(1,3-benzodioxol-5-yl)-2-[3-(diethylamino)propylamino]ethanol
CID 60898747

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol?
The IUPAC name of (1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol (CID 93032029) is (1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol?
The canonical SMILES for (1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol is CCN(CC)CCNC[C@@H](O)c1ccccc1.
What is the InChIKey of (1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol?
The InChIKey is IALGDXRXMJRVGD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-16(4-2)11-10-15-12-14(17)13-8-6-5-7-9-13/h5-9,14-15,17H,3-4,10-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol?
(1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol has a molecular weight of 236.36 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol is sourced from PubChem (CID 93032029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).