[3-[1-(ethylideneamino)-2-methylbut-1-enyl]phenyl]methanol

C14H19NO — CID 91079637

IUPAC[3-[1-(ethylideneamino)-2-methylbut-1-enyl]phenyl]methanol
SMILESC/C=N/C(=C(C)CC)c1cccc(CO)c1
InChIInChI=1S/C14H19NO/c1-4-11(3)14(15-5-2)13-8-6-7-12(9-13)10-16/h5-9,16H,4,10H2,1-3H3/b14-11?,15-5+
InChIKeyUPKPFNJTYKRKCC-KVJPOGEQSA-N
MW217.31 g/mol
LogP3.41
Rot. Bonds4

About [3-[1-(ethylideneamino)-2-methylbut-1-enyl]phenyl]methanol

[3-[1-(ethylideneamino)-2-methylbut-1-enyl]phenyl]methanol (PubChem CID 91079637) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is [3-[1-(ethylideneamino)-2-methylbut-1-enyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[1-(ethylideneamino)-2-methylbut-1-enyl]phenyl]methanol
PubChem CID91079637
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name[3-[1-(ethylideneamino)-2-methylbut-1-enyl]phenyl]methanol
SMILESC/C=N/C(=C(C)CC)c1cccc(CO)c1
InChIInChI=1S/C14H19NO/c1-4-11(3)14(15-5-2)13-8-6-7-12(9-13)10-16/h5-9,16H,4,10H2,1-3H3/b14-11?,15-5+
InChIKeyUPKPFNJTYKRKCC-KVJPOGEQSA-N
XLogP3.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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3-(hydroxymethyl)-N-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of [3-[1-(ethylideneamino)-2-methylbut-1-enyl]phenyl]methanol?
The IUPAC name of [3-[1-(ethylideneamino)-2-methylbut-1-enyl]phenyl]methanol (CID 91079637) is [3-[1-(ethylideneamino)-2-methylbut-1-enyl]phenyl]methanol.
What is the SMILES notation for [3-[1-(ethylideneamino)-2-methylbut-1-enyl]phenyl]methanol?
The canonical SMILES for [3-[1-(ethylideneamino)-2-methylbut-1-enyl]phenyl]methanol is C/C=N/C(=C(C)CC)c1cccc(CO)c1.
What is the InChIKey of [3-[1-(ethylideneamino)-2-methylbut-1-enyl]phenyl]methanol?
The InChIKey is UPKPFNJTYKRKCC-KVJPOGEQSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-11(3)14(15-5-2)13-8-6-7-12(9-13)10-16/h5-9,16H,4,10H2,1-3H3/b14-11?,15-5+.
What are the key properties of [3-[1-(ethylideneamino)-2-methylbut-1-enyl]phenyl]methanol?
[3-[1-(ethylideneamino)-2-methylbut-1-enyl]phenyl]methanol has a molecular weight of 217.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(ethylideneamino)-2-methylbut-1-enyl]phenyl]methanol is sourced from PubChem (CID 91079637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).