3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol

C13H22N2O — CID 65235212

IUPAC3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol
SMILESCNC(C)(CCO)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H22N2O/c1-13(14-2,9-10-16)11-5-7-12(8-6-11)15(3)4/h5-8,14,16H,9-10H2,1-4H3
InChIKeyLMTNGTVJRNNNHE-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.57
Rot. Bonds5

About 3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol

3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol (PubChem CID 65235212) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol
PubChem CID65235212
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol
SMILESCNC(C)(CCO)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H22N2O/c1-13(14-2,9-10-16)11-5-7-12(8-6-11)15(3)4/h5-8,14,16H,9-10H2,1-4H3
InChIKeyLMTNGTVJRNNNHE-UHFFFAOYSA-N
XLogP1.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-3-(methylamino)butan-1-ol
CID 65234691
(3S)-3-(methylamino)-3-phenylbutan-1-ol
CID 174606710
2-[4-(dimethylamino)phenyl]-2-(2-methylanilino)propan-1-ol
CID 61047505
3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol
CID 65234980
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol
CID 61049003
2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol
CID 61050347
methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate
CID 54880686
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
bis[4-(dimethylamino)phenyl]-(4-methylphenyl)methanol
CID 3639181
2-[4-(dimethylamino)phenyl]-2-hydroxypropanamide
CID 62226788
1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol
CID 2196857
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol (CID 65235212) is 3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol is CNC(C)(CCO)c1ccc(N(C)C)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol?
The InChIKey is LMTNGTVJRNNNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(14-2,9-10-16)11-5-7-12(8-6-11)15(3)4/h5-8,14,16H,9-10H2,1-4H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol?
3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-3-(methylamino)butan-1-ol is sourced from PubChem (CID 65235212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).