3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol

C19H25NO — CID 63193525

IUPAC3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol
SMILESCc1ccc(N(C)CC(C)(C)C(O)c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-15-10-12-17(13-11-15)20(4)14-19(2,3)18(21)16-8-6-5-7-9-16/h5-13,18,21H,14H2,1-4H3
InChIKeyVHFAFAFJDCHOHG-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.19
Rot. Bonds5

About 3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol

3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol (PubChem CID 63193525) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol
PubChem CID63193525
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol
SMILESCc1ccc(N(C)CC(C)(C)C(O)c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-15-10-12-17(13-11-15)20(4)14-19(2,3)18(21)16-8-6-5-7-9-16/h5-13,18,21H,14H2,1-4H3
InChIKeyVHFAFAFJDCHOHG-UHFFFAOYSA-N
XLogP4.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol?
The IUPAC name of 3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol (CID 63193525) is 3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol is Cc1ccc(N(C)CC(C)(C)C(O)c2ccccc2)cc1.
What is the InChIKey of 3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol?
The InChIKey is VHFAFAFJDCHOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15-10-12-17(13-11-15)20(4)14-19(2,3)18(21)16-8-6-5-7-9-16/h5-13,18,21H,14H2,1-4H3.
What are the key properties of 3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol?
3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol is sourced from PubChem (CID 63193525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).