(3-hex-4-enoxyphenyl)methanamine

C13H19NO — CID 68779575

IUPAC(3-hex-4-enoxyphenyl)methanamine
SMILESCC=CCCCOc1cccc(CN)c1
InChIInChI=1S/C13H19NO/c1-2-3-4-5-9-15-13-8-6-7-12(10-13)11-14/h2-3,6-8,10H,4-5,9,11,14H2,1H3
InChIKeyNGXWQMXKBSHXLA-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.88
Rot. Bonds6

About (3-hex-4-enoxyphenyl)methanamine

(3-hex-4-enoxyphenyl)methanamine (PubChem CID 68779575) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3-hex-4-enoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-hex-4-enoxyphenyl)methanamine
PubChem CID68779575
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3-hex-4-enoxyphenyl)methanamine
SMILESCC=CCCCOc1cccc(CN)c1
InChIInChI=1S/C13H19NO/c1-2-3-4-5-9-15-13-8-6-7-12(10-13)11-14/h2-3,6-8,10H,4-5,9,11,14H2,1H3
InChIKeyNGXWQMXKBSHXLA-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
amino-(3-hex-4-enoxyphenyl)methanol
CID 91200964
4-[3-(aminomethyl)phenoxy]-N-methylbutanamide
CID 63892226
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine
CID 43254018
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589
[3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine
CID 22002116
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654

Frequently Asked Questions

What is the IUPAC name of (3-hex-4-enoxyphenyl)methanamine?
The IUPAC name of (3-hex-4-enoxyphenyl)methanamine (CID 68779575) is (3-hex-4-enoxyphenyl)methanamine.
What is the SMILES notation for (3-hex-4-enoxyphenyl)methanamine?
The canonical SMILES for (3-hex-4-enoxyphenyl)methanamine is CC=CCCCOc1cccc(CN)c1.
What is the InChIKey of (3-hex-4-enoxyphenyl)methanamine?
The InChIKey is NGXWQMXKBSHXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-3-4-5-9-15-13-8-6-7-12(10-13)11-14/h2-3,6-8,10H,4-5,9,11,14H2,1H3.
What are the key properties of (3-hex-4-enoxyphenyl)methanamine?
(3-hex-4-enoxyphenyl)methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hex-4-enoxyphenyl)methanamine is sourced from PubChem (CID 68779575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).