1-amino-1-[4-(methylamino)phenyl]but-3-en-2-ol

C11H16N2O — CID 130062263

IUPAC1-amino-1-[4-(methylamino)phenyl]but-3-en-2-ol
SMILESC=CC(O)C(N)c1ccc(NC)cc1
InChIInChI=1S/C11H16N2O/c1-3-10(14)11(12)8-4-6-9(13-2)7-5-8/h3-7,10-11,13-14H,1,12H2,2H3
InChIKeyYYKMDYRUMOQFNR-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.27
Rot. Bonds4

About 1-amino-1-[4-(methylamino)phenyl]but-3-en-2-ol

1-amino-1-[4-(methylamino)phenyl]but-3-en-2-ol (PubChem CID 130062263) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-amino-1-[4-(methylamino)phenyl]but-3-en-2-ol.

Molecular Properties

Compound Name1-amino-1-[4-(methylamino)phenyl]but-3-en-2-ol
PubChem CID130062263
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-amino-1-[4-(methylamino)phenyl]but-3-en-2-ol
SMILESC=CC(O)C(N)c1ccc(NC)cc1
InChIInChI=1S/C11H16N2O/c1-3-10(14)11(12)8-4-6-9(13-2)7-5-8/h3-7,10-11,13-14H,1,12H2,2H3
InChIKeyYYKMDYRUMOQFNR-UHFFFAOYSA-N
XLogP1.27
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol
CID 130779699
4-[(1S)-1-aminoethyl]-N-methylaniline
CID 130673691
1-amino-1-(3-methylphenyl)but-3-en-2-ol
CID 130062679
4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline
CID 130625593
(3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid
CID 130649436
N-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide
CID 131124936
4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline
CID 174101748
1-[4-(methylamino)phenyl]butane-1,4-diamine
CID 66819791
ethyl 3-hydroxy-3-[4-(methylamino)phenyl]propanoate
CID 163492180
2-[4-(methylamino)phenyl]butanamide
CID 175192673
4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline
CID 134316618
4-butan-2-yl-N-methylaniline
CID 22675641

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[4-(methylamino)phenyl]but-3-en-2-ol?
The IUPAC name of 1-amino-1-[4-(methylamino)phenyl]but-3-en-2-ol (CID 130062263) is 1-amino-1-[4-(methylamino)phenyl]but-3-en-2-ol.
What is the SMILES notation for 1-amino-1-[4-(methylamino)phenyl]but-3-en-2-ol?
The canonical SMILES for 1-amino-1-[4-(methylamino)phenyl]but-3-en-2-ol is C=CC(O)C(N)c1ccc(NC)cc1.
What is the InChIKey of 1-amino-1-[4-(methylamino)phenyl]but-3-en-2-ol?
The InChIKey is YYKMDYRUMOQFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-10(14)11(12)8-4-6-9(13-2)7-5-8/h3-7,10-11,13-14H,1,12H2,2H3.
What are the key properties of 1-amino-1-[4-(methylamino)phenyl]but-3-en-2-ol?
1-amino-1-[4-(methylamino)phenyl]but-3-en-2-ol has a molecular weight of 192.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[4-(methylamino)phenyl]but-3-en-2-ol is sourced from PubChem (CID 130062263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).