1-[4-(dimethylamino)phenyl]propan-1-ol

C11H17NO — CID 11194671

IUPAC1-[4-(dimethylamino)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(N(C)C)cc1
InChIInChI=1S/C11H17NO/c1-4-11(13)9-5-7-10(8-6-9)12(2)3/h5-8,11,13H,4H2,1-3H3
InChIKeyFRDORHHXSGBNCP-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.20
Rot. Bonds3

About 1-[4-(dimethylamino)phenyl]propan-1-ol

1-[4-(dimethylamino)phenyl]propan-1-ol (PubChem CID 11194671) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]propan-1-ol
PubChem CID11194671
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-[4-(dimethylamino)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(N(C)C)cc1
InChIInChI=1S/C11H17NO/c1-4-11(13)9-5-7-10(8-6-9)12(2)3/h5-8,11,13H,4H2,1-3H3
InChIKeyFRDORHHXSGBNCP-UHFFFAOYSA-N
XLogP2.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

C.I. 42555:1
CID 68050
4,4'-Bis(dimethylamino)benzhydrol
CID 92742
Malachite Green carbinol
CID 10521
4-Acetaminobenzyl alcohol
CID 152141
N,N-Dimethyl-p-aminophenethanol
CID 93252
4-Dimethylaminobenzyl alcohol
CID 137166
Benzenemethanol, 4-(dimethylamino)-alpha,alpha-diphenyl-
CID 614765
Phenethyl alcohol, 4-piperidino-
CID 3043079
[4-(Morpholin-4-yl)phenyl]methanol
CID 2776456
Butyl (4-(dimethylamino)phenyl)((4-(dimethylamino)phenyl)(hydroxy)methyl)phosphinate
CID 3716818
Diisobutyl ((4-(dimethylamino)phenyl)(hydroxy)methyl)phosphonate
CID 3718851
Dibutyl ((4-(dimethylamino)phenyl)(hydroxy)methyl)phosphonate
CID 5152984

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]propan-1-ol?
The IUPAC name of 1-[4-(dimethylamino)phenyl]propan-1-ol (CID 11194671) is 1-[4-(dimethylamino)phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]propan-1-ol?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]propan-1-ol is CCC(O)c1ccc(N(C)C)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]propan-1-ol?
The InChIKey is FRDORHHXSGBNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-11(13)9-5-7-10(8-6-9)12(2)3/h5-8,11,13H,4H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]propan-1-ol?
1-[4-(dimethylamino)phenyl]propan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]propan-1-ol is sourced from PubChem (CID 11194671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).