3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol

C15H26N2O — CID 54940285

IUPAC3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol
SMILESCCN(CC)C(CNCCCO)c1ccccc1
InChIInChI=1S/C15H26N2O/c1-3-17(4-2)15(13-16-11-8-12-18)14-9-6-5-7-10-14/h5-7,9-10,15-16,18H,3-4,8,11-13H2,1-2H3
InChIKeyQXXBGOJEGZDEIC-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.04
Rot. Bonds9

About 3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol

3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol (PubChem CID 54940285) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol
PubChem CID54940285
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol
SMILESCCN(CC)C(CNCCCO)c1ccccc1
InChIInChI=1S/C15H26N2O/c1-3-17(4-2)15(13-16-11-8-12-18)14-9-6-5-7-10-14/h5-7,9-10,15-16,18H,3-4,8,11-13H2,1-2H3
InChIKeyQXXBGOJEGZDEIC-UHFFFAOYSA-N
XLogP2.04
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.04
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

4-[[2-(diethylamino)-2-phenylethyl]amino]butanoic acid
CID 43377950
N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine
CID 54935460
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile
CID 43199335
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine
CID 62422184
N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide
CID 79588864
N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine
CID 55074782
N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine
CID 62419505
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
N'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine
CID 110826595
1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine
CID 62439186

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol?
The IUPAC name of 3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol (CID 54940285) is 3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol is CCN(CC)C(CNCCCO)c1ccccc1.
What is the InChIKey of 3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol?
The InChIKey is QXXBGOJEGZDEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-17(4-2)15(13-16-11-8-12-18)14-9-6-5-7-10-14/h5-7,9-10,15-16,18H,3-4,8,11-13H2,1-2H3.
What are the key properties of 3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol?
3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol is sourced from PubChem (CID 54940285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).