2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol

C16H28N2O — CID 82312095

IUPAC2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol
SMILESCCN(CC)CCCNC(C)C(O)c1ccccc1
InChIInChI=1S/C16H28N2O/c1-4-18(5-2)13-9-12-17-14(3)16(19)15-10-7-6-8-11-15/h6-8,10-11,14,16-17,19H,4-5,9,12-13H2,1-3H3
InChIKeyHVVSUONYZDFENI-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.43
Rot. Bonds9

About 2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol

2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol (PubChem CID 82312095) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol
PubChem CID82312095
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol
SMILESCCN(CC)CCCNC(C)C(O)c1ccccc1
InChIInChI=1S/C16H28N2O/c1-4-18(5-2)13-9-12-17-14(3)16(19)15-10-7-6-8-11-15/h6-8,10-11,14,16-17,19H,4-5,9,12-13H2,1-3H3
InChIKeyHVVSUONYZDFENI-UHFFFAOYSA-N
XLogP2.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol
CID 82313119
2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol
CID 82314459
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid
CID 4299373
(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
CID 142004415
3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-phenylpropan-1-one
CID 122190791
(1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol
CID 93032029
1-(4-bromophenyl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82312926
(4-anilino-3-methylphenyl)-[3-(diethylamino)propylamino]methanol
CID 134490331
(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 14112556
(1S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 70156546

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol?
The IUPAC name of 2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol (CID 82312095) is 2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol is CCN(CC)CCCNC(C)C(O)c1ccccc1.
What is the InChIKey of 2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol?
The InChIKey is HVVSUONYZDFENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-18(5-2)13-9-12-17-14(3)16(19)15-10-7-6-8-11-15/h6-8,10-11,14,16-17,19H,4-5,9,12-13H2,1-3H3.
What are the key properties of 2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol?
2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 82312095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).