N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine

C15H19NO — CID 103701789

IUPACN-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine
SMILESC#CCCCNCc1ccccc1OCC=C
InChIInChI=1S/C15H19NO/c1-3-5-8-11-16-13-14-9-6-7-10-15(14)17-12-4-2/h1,4,6-7,9-10,16H,2,5,8,11-13H2
InChIKeyDFRUROKCUNTDNI-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.75
Rot. Bonds8

About N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine

N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine (PubChem CID 103701789) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine.

Molecular Properties

Compound NameN-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine
PubChem CID103701789
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine
SMILESC#CCCCNCc1ccccc1OCC=C
InChIInChI=1S/C15H19NO/c1-3-5-8-11-16-13-14-9-6-7-10-15(14)17-12-4-2/h1,4,6-7,9-10,16H,2,5,8,11-13H2
InChIKeyDFRUROKCUNTDNI-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.75
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
4-[(2-prop-2-enoxyphenyl)methylamino]butanamide
CID 60865208
5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine
CID 115491359
N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine
CID 115866301
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 61170859
3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 2214046
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042
2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate
CID 83211974
N'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine
CID 55097704
2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol
CID 103701805

Frequently Asked Questions

What is the IUPAC name of N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine?
The IUPAC name of N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine (CID 103701789) is N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine.
What is the SMILES notation for N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine?
The canonical SMILES for N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine is C#CCCCNCc1ccccc1OCC=C.
What is the InChIKey of N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine?
The InChIKey is DFRUROKCUNTDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-5-8-11-16-13-14-9-6-7-10-15(14)17-12-4-2/h1,4,6-7,9-10,16H,2,5,8,11-13H2.
What are the key properties of N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine?
N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine has a molecular weight of 229.32 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine is sourced from PubChem (CID 103701789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).