2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol

C18H19NO — CID 174929671

IUPAC2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol
SMILESNCc1ccc(C=CCC=Cc2ccccc2O)cc1
InChIInChI=1S/C18H19NO/c19-14-16-12-10-15(11-13-16)6-2-1-3-7-17-8-4-5-9-18(17)20/h2-13,20H,1,14,19H2
InChIKeyJNMBCRRKGOMPCR-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.97
Rot. Bonds5

About 2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol

2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol (PubChem CID 174929671) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol.

Molecular Properties

Compound Name2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol
PubChem CID174929671
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol
SMILESNCc1ccc(C=CCC=Cc2ccccc2O)cc1
InChIInChI=1S/C18H19NO/c19-14-16-12-10-15(11-13-16)6-2-1-3-7-17-8-4-5-9-18(17)20/h2-13,20H,1,14,19H2
InChIKeyJNMBCRRKGOMPCR-UHFFFAOYSA-N
XLogP3.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-chloroprop-1-enyl)phenyl]methanamine
CID 169477052
3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide
CID 174751962
2-(3-sulfanylprop-1-enyl)phenol
CID 169454568
4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine
CID 170495473
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
[4-(2-iodoethenyl)phenyl]methanamine
CID 174758565
2-(4-sulfanylbut-1-enyl)phenol
CID 170477733
2-[(E)-4-aminohex-1-enyl]phenol
CID 55254229
ethane;2-[(Z)-pent-1-enyl]phenol
CID 142052125
2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol
CID 22226232
3-[4-(aminomethyl)phenyl]prop-2-enal
CID 151004676
3-[4-(aminomethyl)phenyl]prop-2-enoic acid;hydrochloride
CID 68848924

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol?
The IUPAC name of 2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol (CID 174929671) is 2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol.
What is the SMILES notation for 2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol?
The canonical SMILES for 2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol is NCc1ccc(C=CCC=Cc2ccccc2O)cc1.
What is the InChIKey of 2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol?
The InChIKey is JNMBCRRKGOMPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c19-14-16-12-10-15(11-13-16)6-2-1-3-7-17-8-4-5-9-18(17)20/h2-13,20H,1,14,19H2.
What are the key properties of 2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol?
2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol has a molecular weight of 265.36 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol is sourced from PubChem (CID 174929671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).