3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine

C15H21NO3 — CID 103181830

IUPAC3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine
SMILESCOCCCOCCOc1ccccc1C#CCN
InChIInChI=1S/C15H21NO3/c1-17-10-5-11-18-12-13-19-15-8-3-2-6-14(15)7-4-9-16/h2-3,6,8H,5,9-13,16H2,1H3
InChIKeySNVJNQDBNMXBGQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.43
Rot. Bonds8

About 3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine

3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine (PubChem CID 103181830) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine
PubChem CID103181830
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine
SMILESCOCCCOCCOc1ccccc1C#CCN
InChIInChI=1S/C15H21NO3/c1-17-10-5-11-18-12-13-19-15-8-3-2-6-14(15)7-4-9-16/h2-3,6,8H,5,9-13,16H2,1H3
InChIKeySNVJNQDBNMXBGQ-UHFFFAOYSA-N
XLogP1.43
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
3-[2-(3-methoxypropoxy)phenyl]prop-2-yn-1-ol
CID 60925452
3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine
CID 54970255
3-[2-(3-methylsulfonylpropoxy)phenyl]prop-2-yn-1-amine
CID 55161773
1-[2-(3-methoxypropoxy)ethoxy]naphthalene
CID 103184395
4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine
CID 103177326
3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine
CID 106455515
2-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 54936297
3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine
CID 65181168
[2-bromo-6-[2-(3-methoxypropoxy)ethoxy]phenyl]methanamine
CID 103176691
2-(4-chlorobut-1-ynyl)-1-[2-(3-methoxypropoxy)ethoxy]-4-methylbenzene
CID 103181814
3-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-yn-1-ol
CID 103411388

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine (CID 103181830) is 3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine is COCCCOCCOc1ccccc1C#CCN.
What is the InChIKey of 3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine?
The InChIKey is SNVJNQDBNMXBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-17-10-5-11-18-12-13-19-15-8-3-2-6-14(15)7-4-9-16/h2-3,6,8H,5,9-13,16H2,1H3.
What are the key properties of 3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine?
3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine has a molecular weight of 263.34 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 103181830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).