amino-(3-hex-4-enoxyphenyl)methanol

C13H19NO2 — CID 91200964

IUPACamino-(3-hex-4-enoxyphenyl)methanol
SMILESCC=CCCCOc1cccc(C(N)O)c1
InChIInChI=1S/C13H19NO2/c1-2-3-4-5-9-16-12-8-6-7-11(10-12)13(14)15/h2-3,6-8,10,13,15H,4-5,9,14H2,1H3
InChIKeyPCBFFOSLSOATOZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.37
Rot. Bonds6

About amino-(3-hex-4-enoxyphenyl)methanol

amino-(3-hex-4-enoxyphenyl)methanol (PubChem CID 91200964) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is amino-(3-hex-4-enoxyphenyl)methanol.

Molecular Properties

Compound Nameamino-(3-hex-4-enoxyphenyl)methanol
PubChem CID91200964
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameamino-(3-hex-4-enoxyphenyl)methanol
SMILESCC=CCCCOc1cccc(C(N)O)c1
InChIInChI=1S/C13H19NO2/c1-2-3-4-5-9-16-12-8-6-7-11(10-12)13(14)15/h2-3,6-8,10,13,15H,4-5,9,14H2,1H3
InChIKeyPCBFFOSLSOATOZ-UHFFFAOYSA-N
XLogP2.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3-hex-4-enoxyphenyl)methanamine
CID 68779575
(1R)-1-(3-pent-4-enoxyphenyl)ethanamine
CID 78967500
(1S)-1-(3-but-2-enoxyphenyl)ethanol
CID 78934397
4-[3-(3-amino-1-hydroxypropyl)phenoxy]butanal;methanamine
CID 143786000
4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methylbutanamide
CID 78953849
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301

Frequently Asked Questions

What is the IUPAC name of amino-(3-hex-4-enoxyphenyl)methanol?
The IUPAC name of amino-(3-hex-4-enoxyphenyl)methanol (CID 91200964) is amino-(3-hex-4-enoxyphenyl)methanol.
What is the SMILES notation for amino-(3-hex-4-enoxyphenyl)methanol?
The canonical SMILES for amino-(3-hex-4-enoxyphenyl)methanol is CC=CCCCOc1cccc(C(N)O)c1.
What is the InChIKey of amino-(3-hex-4-enoxyphenyl)methanol?
The InChIKey is PCBFFOSLSOATOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-3-4-5-9-16-12-8-6-7-11(10-12)13(14)15/h2-3,6-8,10,13,15H,4-5,9,14H2,1H3.
What are the key properties of amino-(3-hex-4-enoxyphenyl)methanol?
amino-(3-hex-4-enoxyphenyl)methanol has a molecular weight of 221.30 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(3-hex-4-enoxyphenyl)methanol is sourced from PubChem (CID 91200964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).