(3Z,5E)-7-amino-6-methyl-3-phenylhepta-1,3,5-trien-4-ol

C14H17NO — CID 143496867

IUPAC(3Z,5E)-7-amino-6-methyl-3-phenylhepta-1,3,5-trien-4-ol
SMILESC=C/C(=C(O)\C=C(/C)CN)c1ccccc1
InChIInChI=1S/C14H17NO/c1-3-13(12-7-5-4-6-8-12)14(16)9-11(2)10-15/h3-9,16H,1,10,15H2,2H3/b11-9+,14-13-
InChIKeyJFEHHDHKBJHYNM-FGWKFWITSA-N
MW215.30 g/mol
LogP3.05
Rot. Bonds4

About (3Z,5E)-7-amino-6-methyl-3-phenylhepta-1,3,5-trien-4-ol

(3Z,5E)-7-amino-6-methyl-3-phenylhepta-1,3,5-trien-4-ol (PubChem CID 143496867) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (3Z,5E)-7-amino-6-methyl-3-phenylhepta-1,3,5-trien-4-ol.

Molecular Properties

Compound Name(3Z,5E)-7-amino-6-methyl-3-phenylhepta-1,3,5-trien-4-ol
PubChem CID143496867
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(3Z,5E)-7-amino-6-methyl-3-phenylhepta-1,3,5-trien-4-ol
SMILESC=C/C(=C(O)\C=C(/C)CN)c1ccccc1
InChIInChI=1S/C14H17NO/c1-3-13(12-7-5-4-6-8-12)14(16)9-11(2)10-15/h3-9,16H,1,10,15H2,2H3/b11-9+,14-13-
InChIKeyJFEHHDHKBJHYNM-FGWKFWITSA-N
XLogP3.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-Amino-4-phenylbut-3-en-2-ol
CID 13462670
(e)-1-(3-(3-Aminopropyl)phenyl)-3-ethylpent-1-en-3-ol
CID 25101787
(E)-4-(3-(3-aminopropyl)styryl)heptan-4-ol
CID 25101790
(e)-4-(3-(3-Aminopropyl)phenyl)-2-methylbut-3-en-2-ol
CID 25101791
(3E,5E)-2-methyl-6-phenylhepta-3,5-dien-2-ol
CID 118715381
(E)-1-amino-4-phenylbut-3-en-2-ol;hydrochloride
CID 145960825
Benzylidene ethanolamine
CID 67642473
4-Hydroxy-4-aminobiphenyl
CID 69193415
4-Amino-2-(4-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-ol
CID 71173362
(E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol
CID 142242491
(3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol
CID 143606087
(1E,3E)-4-amino-1-[3-(2-fluoroethyl)phenyl]buta-1,3-dien-2-ol
CID 169997421

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-7-amino-6-methyl-3-phenylhepta-1,3,5-trien-4-ol?
The IUPAC name of (3Z,5E)-7-amino-6-methyl-3-phenylhepta-1,3,5-trien-4-ol (CID 143496867) is (3Z,5E)-7-amino-6-methyl-3-phenylhepta-1,3,5-trien-4-ol.
What is the SMILES notation for (3Z,5E)-7-amino-6-methyl-3-phenylhepta-1,3,5-trien-4-ol?
The canonical SMILES for (3Z,5E)-7-amino-6-methyl-3-phenylhepta-1,3,5-trien-4-ol is C=C/C(=C(O)\C=C(/C)CN)c1ccccc1.
What is the InChIKey of (3Z,5E)-7-amino-6-methyl-3-phenylhepta-1,3,5-trien-4-ol?
The InChIKey is JFEHHDHKBJHYNM-FGWKFWITSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-13(12-7-5-4-6-8-12)14(16)9-11(2)10-15/h3-9,16H,1,10,15H2,2H3/b11-9+,14-13-.
What are the key properties of (3Z,5E)-7-amino-6-methyl-3-phenylhepta-1,3,5-trien-4-ol?
(3Z,5E)-7-amino-6-methyl-3-phenylhepta-1,3,5-trien-4-ol has a molecular weight of 215.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-7-amino-6-methyl-3-phenylhepta-1,3,5-trien-4-ol is sourced from PubChem (CID 143496867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).