N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine

C14H19NO — CID 62341837

IUPACN-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine
SMILESCC(C)NCCOCC#Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-13(2)15-10-12-16-11-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15H,10-12H2,1-2H3
InChIKeyVYVWUKPVOFXVCU-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.05
Rot. Bonds5

About N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine

N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine (PubChem CID 62341837) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine
PubChem CID62341837
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine
SMILESCC(C)NCCOCC#Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-13(2)15-10-12-16-11-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15H,10-12H2,1-2H3
InChIKeyVYVWUKPVOFXVCU-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 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 ≤ 52.05
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-methylpropoxy)prop-1-ynylbenzene
CID 130395196
2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 142548631
N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine
CID 62937312
N-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79784026
N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 166554710
4-[3-(methylamino)prop-1-ynyl]-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
CID 169214944
3-(2,2,2-trifluoroethoxy)prop-1-ynylbenzene
CID 100928911
3-but-3-en-2-yloxyprop-1-ynylbenzene
CID 11412798
N-[2-[2-(7-methylocta-2,4-diynoxy)ethoxy]ethyl]propan-2-amine
CID 155655523
4-methylpent-1-ynylbenzene
CID 12861410
3-phenylprop-2-ynyl-di(propan-2-yloxy)borane
CID 11010173
N-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine
CID 114097887

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine (CID 62341837) is N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine is CC(C)NCCOCC#Cc1ccccc1.
What is the InChIKey of N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine?
The InChIKey is VYVWUKPVOFXVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-13(2)15-10-12-16-11-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15H,10-12H2,1-2H3.
What are the key properties of N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine?
N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine has a molecular weight of 217.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine is sourced from PubChem (CID 62341837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).