N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine

C16H23NO — CID 104804539

IUPACN-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine
SMILESCC#CCCOc1ccccc1C(CC)NCC
InChIInChI=1S/C16H23NO/c1-4-7-10-13-18-16-12-9-8-11-14(16)15(5-2)17-6-3/h8-9,11-12,15,17H,5-6,10,13H2,1-3H3
InChIKeyOSCOKEIJTAMQBT-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.54
Rot. Bonds7

About N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine

N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine (PubChem CID 104804539) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine
PubChem CID104804539
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine
SMILESCC#CCCOc1ccccc1C(CC)NCC
InChIInChI=1S/C16H23NO/c1-4-7-10-13-18-16-12-9-8-11-14(16)15(5-2)17-6-3/h8-9,11-12,15,17H,5-6,10,13H2,1-3H3
InChIKeyOSCOKEIJTAMQBT-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.54
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

N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500
1-(2-pent-3-ynoxyphenyl)propan-1-ol
CID 104808206
1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine
CID 63501142
N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine
CID 104804559
N-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine
CID 107006072
methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate
CID 60881530
1-(2-ethoxyphenyl)hex-4-ynylhydrazine
CID 105260784
1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208142
N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
CID 104660013
1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
1-(2-but-3-ynoxyphenyl)-N-ethylethanamine
CID 60882512
1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine
CID 106929153

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine?
The IUPAC name of N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine (CID 104804539) is N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine is CC#CCCOc1ccccc1C(CC)NCC.
What is the InChIKey of N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine?
The InChIKey is OSCOKEIJTAMQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-7-10-13-18-16-12-9-8-11-14(16)15(5-2)17-6-3/h8-9,11-12,15,17H,5-6,10,13H2,1-3H3.
What are the key properties of N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine?
N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine is sourced from PubChem (CID 104804539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).