1-amino-1-phenylocta-4,6-dien-2-ol

C14H19NO — CID 123456345

IUPAC1-amino-1-phenylocta-4,6-dien-2-ol
SMILESCC=CC=CCC(O)C(N)c1ccccc1
InChIInChI=1S/C14H19NO/c1-2-3-4-8-11-13(16)14(15)12-9-6-5-7-10-12/h2-10,13-14,16H,11,15H2,1H3
InChIKeyLRTNIAYYQNSXMX-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.57
Rot. Bonds5

About 1-amino-1-phenylocta-4,6-dien-2-ol

1-amino-1-phenylocta-4,6-dien-2-ol (PubChem CID 123456345) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-amino-1-phenylocta-4,6-dien-2-ol.

Molecular Properties

Compound Name1-amino-1-phenylocta-4,6-dien-2-ol
PubChem CID123456345
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-amino-1-phenylocta-4,6-dien-2-ol
SMILESCC=CC=CCC(O)C(N)c1ccccc1
InChIInChI=1S/C14H19NO/c1-2-3-4-8-11-13(16)14(15)12-9-6-5-7-10-12/h2-10,13-14,16H,11,15H2,1H3
InChIKeyLRTNIAYYQNSXMX-UHFFFAOYSA-N
XLogP2.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-amino-1-phenylocta-4,6-dien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene
CID 156727063
2-methyl-4-phenyldeca-6,8-dienoic acid
CID 58782939
(2R,4E,6E)-2-benzylocta-4,6-dienamide
CID 125467073
[(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium
CID 13156160
[(2Z,4Z)-hexa-2,4-dienyl]-methyl-diphenylphosphanium
CID 154980147
5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene
CID 91290814
6,7-dihydroxy-7-phenylhept-3-en-2-one
CID 142690833
(Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine
CID 153400130
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
3-[(2E,4E)-hexa-2,4-dienyl]-3-(1-phenylprop-2-enyl)pentane-2,4-dione
CID 20732857
(1S,2R,4E,6E)-2-bromo-1-hydroxy-1-phenylocta-4,6-dien-3-one
CID 15529073

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-phenylocta-4,6-dien-2-ol?
The IUPAC name of 1-amino-1-phenylocta-4,6-dien-2-ol (CID 123456345) is 1-amino-1-phenylocta-4,6-dien-2-ol.
What is the SMILES notation for 1-amino-1-phenylocta-4,6-dien-2-ol?
The canonical SMILES for 1-amino-1-phenylocta-4,6-dien-2-ol is CC=CC=CCC(O)C(N)c1ccccc1.
What is the InChIKey of 1-amino-1-phenylocta-4,6-dien-2-ol?
The InChIKey is LRTNIAYYQNSXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-3-4-8-11-13(16)14(15)12-9-6-5-7-10-12/h2-10,13-14,16H,11,15H2,1H3.
What are the key properties of 1-amino-1-phenylocta-4,6-dien-2-ol?
1-amino-1-phenylocta-4,6-dien-2-ol has a molecular weight of 217.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-phenylocta-4,6-dien-2-ol is sourced from PubChem (CID 123456345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).