2-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propyl]phenol

C16H28N2O — CID 61476921

IUPAC2-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propyl]phenol
SMILESCCC(NC(CN(C)C)C(C)C)c1ccccc1O
InChIInChI=1S/C16H28N2O/c1-6-14(13-9-7-8-10-16(13)19)17-15(12(2)3)11-18(4)5/h7-10,12,14-15,17,19H,6,11H2,1-5H3
InChIKeyZQJAYKIHRNJMDU-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.02
Rot. Bonds7

About 2-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propyl]phenol

2-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propyl]phenol (PubChem CID 61476921) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propyl]phenol
PubChem CID61476921
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propyl]phenol
SMILESCCC(NC(CN(C)C)C(C)C)c1ccccc1O
InChIInChI=1S/C16H28N2O/c1-6-14(13-9-7-8-10-16(13)19)17-15(12(2)3)11-18(4)5/h7-10,12,14-15,17,19H,6,11H2,1-5H3
InChIKeyZQJAYKIHRNJMDU-UHFFFAOYSA-N
XLogP3.02
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propyl]phenol?
The IUPAC name of 2-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propyl]phenol (CID 61476921) is 2-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propyl]phenol.
What is the SMILES notation for 2-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propyl]phenol?
The canonical SMILES for 2-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propyl]phenol is CCC(NC(CN(C)C)C(C)C)c1ccccc1O.
What is the InChIKey of 2-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propyl]phenol?
The InChIKey is ZQJAYKIHRNJMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-14(13-9-7-8-10-16(13)19)17-15(12(2)3)11-18(4)5/h7-10,12,14-15,17,19H,6,11H2,1-5H3.
What are the key properties of 2-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propyl]phenol?
2-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propyl]phenol has a molecular weight of 264.41 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propyl]phenol is sourced from PubChem (CID 61476921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).