(2S)-1-[4-(dimethylamino)anilino]propan-2-ol

C11H18N2O — CID 93345471

IUPAC(2S)-1-[4-(dimethylamino)anilino]propan-2-ol
SMILESC[C@H](O)CNc1ccc(N(C)C)cc1
InChIInChI=1S/C11H18N2O/c1-9(14)8-12-10-4-6-11(7-5-10)13(2)3/h4-7,9,12,14H,8H2,1-3H3/t9-/m0/s1
InChIKeyJRMWFZXEQILMKG-VIFPVBQESA-N
MW194.28 g/mol
LogP1.55
Rot. Bonds4

About (2S)-1-[4-(dimethylamino)anilino]propan-2-ol

(2S)-1-[4-(dimethylamino)anilino]propan-2-ol (PubChem CID 93345471) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (2S)-1-[4-(dimethylamino)anilino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(dimethylamino)anilino]propan-2-ol
PubChem CID93345471
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(2S)-1-[4-(dimethylamino)anilino]propan-2-ol
SMILESC[C@H](O)CNc1ccc(N(C)C)cc1
InChIInChI=1S/C11H18N2O/c1-9(14)8-12-10-4-6-11(7-5-10)13(2)3/h4-7,9,12,14H,8H2,1-3H3/t9-/m0/s1
InChIKeyJRMWFZXEQILMKG-VIFPVBQESA-N
XLogP1.55
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine
CID 93225665
(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732
(2S)-1-(4-methylsulfanylanilino)propan-2-ol
CID 93345415
1-(4-propan-2-yloxyanilino)propan-2-ol
CID 60884115
2-[4-(dimethylamino)anilino]acetic acid
CID 28744032
[4-(2-hydroxypropylamino)phenyl]boronic acid
CID 155793577
3-[4-(dimethylamino)phenyl]-4-(2-hydroxypropylamino)cyclobut-3-ene-1,2-dione
CID 22328090
2-[4-(dimethylamino)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 60685378
1-(4-propylanilino)propan-2-ol
CID 60884974
2-acetamido-3-[4-(dimethylamino)anilino]propanoic acid
CID 64583264
N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79192606

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(dimethylamino)anilino]propan-2-ol?
The IUPAC name of (2S)-1-[4-(dimethylamino)anilino]propan-2-ol (CID 93345471) is (2S)-1-[4-(dimethylamino)anilino]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-(dimethylamino)anilino]propan-2-ol?
The canonical SMILES for (2S)-1-[4-(dimethylamino)anilino]propan-2-ol is C[C@H](O)CNc1ccc(N(C)C)cc1.
What is the InChIKey of (2S)-1-[4-(dimethylamino)anilino]propan-2-ol?
The InChIKey is JRMWFZXEQILMKG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(14)8-12-10-4-6-11(7-5-10)13(2)3/h4-7,9,12,14H,8H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-1-[4-(dimethylamino)anilino]propan-2-ol?
(2S)-1-[4-(dimethylamino)anilino]propan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(dimethylamino)anilino]propan-2-ol is sourced from PubChem (CID 93345471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).