1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol

C16H28N2O — CID 62374488

IUPAC1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol
SMILESCCCN(CCN(C)C)CC(C)(O)c1ccccc1
InChIInChI=1S/C16H28N2O/c1-5-11-18(13-12-17(3)4)14-16(2,19)15-9-7-6-8-10-15/h6-10,19H,5,11-14H2,1-4H3
InChIKeyBCRBWVJFTIDOCA-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.17
Rot. Bonds8

About 1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol

1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol (PubChem CID 62374488) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol
PubChem CID62374488
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol
SMILESCCCN(CCN(C)C)CC(C)(O)c1ccccc1
InChIInChI=1S/C16H28N2O/c1-5-11-18(13-12-17(3)4)14-16(2,19)15-9-7-6-8-10-15/h6-10,19H,5,11-14H2,1-4H3
InChIKeyBCRBWVJFTIDOCA-UHFFFAOYSA-N
XLogP2.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol (CID 62374488) is 1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol is CCCN(CCN(C)C)CC(C)(O)c1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol?
The InChIKey is BCRBWVJFTIDOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-11-18(13-12-17(3)4)14-16(2,19)15-9-7-6-8-10-15/h6-10,19H,5,11-14H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol?
1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol has a molecular weight of 264.41 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol is sourced from PubChem (CID 62374488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).