(E)-3-(2-aminophenyl)-2,2-dimethylpent-3-en-1-ol

C13H19NO — CID 59769179

IUPAC(E)-3-(2-aminophenyl)-2,2-dimethylpent-3-en-1-ol
SMILESC/C=C(\c1ccccc1N)C(C)(C)CO
InChIInChI=1S/C13H19NO/c1-4-11(13(2,3)9-15)10-7-5-6-8-12(10)14/h4-8,15H,9,14H2,1-3H3/b11-4+
InChIKeySJMFDIVQDZIWCT-NYYWCZLTSA-N
MW205.30 g/mol
LogP2.69
Rot. Bonds3

About (E)-3-(2-aminophenyl)-2,2-dimethylpent-3-en-1-ol

(E)-3-(2-aminophenyl)-2,2-dimethylpent-3-en-1-ol (PubChem CID 59769179) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (E)-3-(2-aminophenyl)-2,2-dimethylpent-3-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2-aminophenyl)-2,2-dimethylpent-3-en-1-ol
PubChem CID59769179
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(E)-3-(2-aminophenyl)-2,2-dimethylpent-3-en-1-ol
SMILESC/C=C(\c1ccccc1N)C(C)(C)CO
InChIInChI=1S/C13H19NO/c1-4-11(13(2,3)9-15)10-7-5-6-8-12(10)14/h4-8,15H,9,14H2,1-3H3/b11-4+
InChIKeySJMFDIVQDZIWCT-NYYWCZLTSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 79282
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CID 66904
CID 66904
CID 9815235
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CID 5459424
CID 5459424
CID 85753
CID 85753
CID 112058
CID 112058
CID 15208917
CID 15208917
CID 1514189
CID 1514189
CID 6951270
CID 6951270
CID 14938987
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CID 235875
CID 235875
CID 212998
CID 212998

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-aminophenyl)-2,2-dimethylpent-3-en-1-ol?
The IUPAC name of (E)-3-(2-aminophenyl)-2,2-dimethylpent-3-en-1-ol (CID 59769179) is (E)-3-(2-aminophenyl)-2,2-dimethylpent-3-en-1-ol.
What is the SMILES notation for (E)-3-(2-aminophenyl)-2,2-dimethylpent-3-en-1-ol?
The canonical SMILES for (E)-3-(2-aminophenyl)-2,2-dimethylpent-3-en-1-ol is C/C=C(\c1ccccc1N)C(C)(C)CO.
What is the InChIKey of (E)-3-(2-aminophenyl)-2,2-dimethylpent-3-en-1-ol?
The InChIKey is SJMFDIVQDZIWCT-NYYWCZLTSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-11(13(2,3)9-15)10-7-5-6-8-12(10)14/h4-8,15H,9,14H2,1-3H3/b11-4+.
What are the key properties of (E)-3-(2-aminophenyl)-2,2-dimethylpent-3-en-1-ol?
(E)-3-(2-aminophenyl)-2,2-dimethylpent-3-en-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-aminophenyl)-2,2-dimethylpent-3-en-1-ol is sourced from PubChem (CID 59769179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).