N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine

C14H19NO — CID 114414920

IUPACN-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine
SMILESC#CC(C)NC(C)c1ccccc1OCC
InChIInChI=1S/C14H19NO/c1-5-11(3)15-12(4)13-9-7-8-10-14(13)16-6-2/h1,7-12,15H,6H2,2-4H3
InChIKeyMFLMORCRQBDLBR-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.76
Rot. Bonds5

About N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine

N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine (PubChem CID 114414920) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine
PubChem CID114414920
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine
SMILESC#CC(C)NC(C)c1ccccc1OCC
InChIInChI=1S/C14H19NO/c1-5-11(3)15-12(4)13-9-7-8-10-14(13)16-6-2/h1,7-12,15H,6H2,2-4H3
InChIKeyMFLMORCRQBDLBR-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-ethoxyphenyl)ethyl]hex-1-yn-3-amine
CID 106226015
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
CID 81379133
N-[1-(2-ethoxyphenyl)ethyl]-2-methylbut-3-yn-2-amine
CID 63998892
(2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol
CID 104980453
N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65050188
1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81400310
N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43190017
N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
CID 43731142
3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 103786537
N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine
CID 100555774
(2R)-1-[1-(2-ethoxyphenyl)ethylamino]propan-2-ol
CID 103906642
3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785533

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine?
The IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine (CID 114414920) is N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine?
The canonical SMILES for N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine is C#CC(C)NC(C)c1ccccc1OCC.
What is the InChIKey of N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine?
The InChIKey is MFLMORCRQBDLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-11(3)15-12(4)13-9-7-8-10-14(13)16-6-2/h1,7-12,15H,6H2,2-4H3.
What are the key properties of N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine?
N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine has a molecular weight of 217.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine is sourced from PubChem (CID 114414920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).