2-[2-(ethoxymethoxy)-4-prop-1-ynylphenyl]propan-1-amine

C15H21NO2 — CID 175435237

IUPAC2-[2-(ethoxymethoxy)-4-prop-1-ynylphenyl]propan-1-amine
SMILESCC#Cc1ccc(C(C)CN)c(OCOCC)c1
InChIInChI=1S/C15H21NO2/c1-4-6-13-7-8-14(12(3)10-16)15(9-13)18-11-17-5-2/h7-9,12H,5,10-11,16H2,1-3H3
InChIKeyDNMVPMDYIPQPIB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.49
Rot. Bonds6

About 2-[2-(ethoxymethoxy)-4-prop-1-ynylphenyl]propan-1-amine

2-[2-(ethoxymethoxy)-4-prop-1-ynylphenyl]propan-1-amine (PubChem CID 175435237) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[2-(ethoxymethoxy)-4-prop-1-ynylphenyl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(ethoxymethoxy)-4-prop-1-ynylphenyl]propan-1-amine
PubChem CID175435237
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[2-(ethoxymethoxy)-4-prop-1-ynylphenyl]propan-1-amine
SMILESCC#Cc1ccc(C(C)CN)c(OCOCC)c1
InChIInChI=1S/C15H21NO2/c1-4-6-13-7-8-14(12(3)10-16)15(9-13)18-11-17-5-2/h7-9,12H,5,10-11,16H2,1-3H3
InChIKeyDNMVPMDYIPQPIB-UHFFFAOYSA-N
XLogP2.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
CID 102946236
1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
CID 82000622
2-[2-(ethoxymethoxy)-4-prop-1-ynylphenyl]-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane
CID 174089313
4-(3-chloroprop-1-ynyl)-2-(ethoxymethoxy)-1-fluorobenzene
CID 114675452
1-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
CID 65369844
1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol
CID 65369644
4-(3-chloroprop-1-ynyl)-1-(ethoxymethoxy)-2-methylbenzene
CID 65369327
2-methyl-1-propan-2-yl-4-prop-1-ynylbenzene
CID 59596435
[4-(ethoxymethoxy)-3-methoxyphenyl]methanamine
CID 65364711
2-[2-methoxy-4-(methoxymethyl)phenyl]propan-1-amine
CID 83884511
3-(ethoxymethoxy)-4-methylaniline
CID 65364310

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethoxymethoxy)-4-prop-1-ynylphenyl]propan-1-amine?
The IUPAC name of 2-[2-(ethoxymethoxy)-4-prop-1-ynylphenyl]propan-1-amine (CID 175435237) is 2-[2-(ethoxymethoxy)-4-prop-1-ynylphenyl]propan-1-amine.
What is the SMILES notation for 2-[2-(ethoxymethoxy)-4-prop-1-ynylphenyl]propan-1-amine?
The canonical SMILES for 2-[2-(ethoxymethoxy)-4-prop-1-ynylphenyl]propan-1-amine is CC#Cc1ccc(C(C)CN)c(OCOCC)c1.
What is the InChIKey of 2-[2-(ethoxymethoxy)-4-prop-1-ynylphenyl]propan-1-amine?
The InChIKey is DNMVPMDYIPQPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-6-13-7-8-14(12(3)10-16)15(9-13)18-11-17-5-2/h7-9,12H,5,10-11,16H2,1-3H3.
What are the key properties of 2-[2-(ethoxymethoxy)-4-prop-1-ynylphenyl]propan-1-amine?
2-[2-(ethoxymethoxy)-4-prop-1-ynylphenyl]propan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethoxymethoxy)-4-prop-1-ynylphenyl]propan-1-amine is sourced from PubChem (CID 175435237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).