2-[2-amino-3,5-bis[(E)-pent-1-enyl]phenyl]ethanol

C18H27NO — CID 163237030

IUPAC2-[2-amino-3,5-bis[(E)-pent-1-enyl]phenyl]ethanol
SMILESCCC/C=C/c1cc(/C=C/CCC)c(N)c(CCO)c1
InChIInChI=1S/C18H27NO/c1-3-5-7-9-15-13-16(10-8-6-4-2)18(19)17(14-15)11-12-20/h7-10,13-14,20H,3-6,11-12,19H2,1-2H3/b9-7+,10-8+
InChIKeyFUFYRAUECSOXRF-FIFLTTCUSA-N
MW273.42 g/mol
LogP4.43
Rot. Bonds8

About 2-[2-amino-3,5-bis[(E)-pent-1-enyl]phenyl]ethanol

2-[2-amino-3,5-bis[(E)-pent-1-enyl]phenyl]ethanol (PubChem CID 163237030) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[2-amino-3,5-bis[(E)-pent-1-enyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-amino-3,5-bis[(E)-pent-1-enyl]phenyl]ethanol
PubChem CID163237030
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-[2-amino-3,5-bis[(E)-pent-1-enyl]phenyl]ethanol
SMILESCCC/C=C/c1cc(/C=C/CCC)c(N)c(CCO)c1
InChIInChI=1S/C18H27NO/c1-3-5-7-9-15-13-16(10-8-6-4-2)18(19)17(14-15)11-12-20/h7-10,13-14,20H,3-6,11-12,19H2,1-2H3/b9-7+,10-8+
InChIKeyFUFYRAUECSOXRF-FIFLTTCUSA-N
XLogP4.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3,5-bis[(E)-pent-1-enyl]phenyl]ethanol?
The IUPAC name of 2-[2-amino-3,5-bis[(E)-pent-1-enyl]phenyl]ethanol (CID 163237030) is 2-[2-amino-3,5-bis[(E)-pent-1-enyl]phenyl]ethanol.
What is the SMILES notation for 2-[2-amino-3,5-bis[(E)-pent-1-enyl]phenyl]ethanol?
The canonical SMILES for 2-[2-amino-3,5-bis[(E)-pent-1-enyl]phenyl]ethanol is CCC/C=C/c1cc(/C=C/CCC)c(N)c(CCO)c1.
What is the InChIKey of 2-[2-amino-3,5-bis[(E)-pent-1-enyl]phenyl]ethanol?
The InChIKey is FUFYRAUECSOXRF-FIFLTTCUSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-5-7-9-15-13-16(10-8-6-4-2)18(19)17(14-15)11-12-20/h7-10,13-14,20H,3-6,11-12,19H2,1-2H3/b9-7+,10-8+.
What are the key properties of 2-[2-amino-3,5-bis[(E)-pent-1-enyl]phenyl]ethanol?
2-[2-amino-3,5-bis[(E)-pent-1-enyl]phenyl]ethanol has a molecular weight of 273.42 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3,5-bis[(E)-pent-1-enyl]phenyl]ethanol is sourced from PubChem (CID 163237030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).