(3-hept-3-ynoxyphenyl)methanamine

C14H19NO — CID 68777046

IUPAC(3-hept-3-ynoxyphenyl)methanamine
SMILESCCCC#CCCOc1cccc(CN)c1
InChIInChI=1S/C14H19NO/c1-2-3-4-5-6-10-16-14-9-7-8-13(11-14)12-15/h7-9,11H,2-3,6,10,12,15H2,1H3
InChIKeyZZMZLYRMCYBTEC-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.72
Rot. Bonds5

About (3-hept-3-ynoxyphenyl)methanamine

(3-hept-3-ynoxyphenyl)methanamine (PubChem CID 68777046) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3-hept-3-ynoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-hept-3-ynoxyphenyl)methanamine
PubChem CID68777046
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3-hept-3-ynoxyphenyl)methanamine
SMILESCCCC#CCCOc1cccc(CN)c1
InChIInChI=1S/C14H19NO/c1-2-3-4-5-6-10-16-14-9-7-8-13(11-14)12-15/h7-9,11H,2-3,6,10,12,15H2,1H3
InChIKeyZZMZLYRMCYBTEC-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
1,3-bis(hex-3-ynoxy)benzene
CID 91430749
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
[3-(3-hexoxypropoxy)phenyl]methanamine
CID 43254403
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
[3-(2-propylpentoxy)phenyl]methanamine
CID 58027597
5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
1-[3-[3-(aminomethyl)phenoxy]propyl]-3-propylimidazol-2-one
CID 80579823

Frequently Asked Questions

What is the IUPAC name of (3-hept-3-ynoxyphenyl)methanamine?
The IUPAC name of (3-hept-3-ynoxyphenyl)methanamine (CID 68777046) is (3-hept-3-ynoxyphenyl)methanamine.
What is the SMILES notation for (3-hept-3-ynoxyphenyl)methanamine?
The canonical SMILES for (3-hept-3-ynoxyphenyl)methanamine is CCCC#CCCOc1cccc(CN)c1.
What is the InChIKey of (3-hept-3-ynoxyphenyl)methanamine?
The InChIKey is ZZMZLYRMCYBTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-3-4-5-6-10-16-14-9-7-8-13(11-14)12-15/h7-9,11H,2-3,6,10,12,15H2,1H3.
What are the key properties of (3-hept-3-ynoxyphenyl)methanamine?
(3-hept-3-ynoxyphenyl)methanamine has a molecular weight of 217.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hept-3-ynoxyphenyl)methanamine is sourced from PubChem (CID 68777046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).