[2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine

C15H23NO2 — CID 114157324

IUPAC[2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCCOCCC1CC1
InChIInChI=1S/C15H23NO2/c16-12-14-4-1-2-5-15(14)18-10-3-9-17-11-8-13-6-7-13/h1-2,4-5,13H,3,6-12,16H2
InChIKeySERQIQLGZHVGOH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.73
Rot. Bonds9

About [2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine

[2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine (PubChem CID 114157324) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine
PubChem CID114157324
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCCOCCC1CC1
InChIInChI=1S/C15H23NO2/c16-12-14-4-1-2-5-15(14)18-10-3-9-17-11-8-13-6-7-13/h1-2,4-5,13H,3,6-12,16H2
InChIKeySERQIQLGZHVGOH-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine
CID 114157332
1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol
CID 106200278
1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol
CID 106200329
[2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine
CID 84686072
[2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine
CID 43254444
[2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine
CID 43254199
[2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine
CID 62383531
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
3-[3-(2-ethylphenoxy)propoxy]propan-1-amine
CID 82353346
N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine
CID 43478990
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
CID 67183570
[2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine
CID 43254007

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine?
The IUPAC name of [2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine (CID 114157324) is [2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine.
What is the SMILES notation for [2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine?
The canonical SMILES for [2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine is NCc1ccccc1OCCCOCCC1CC1.
What is the InChIKey of [2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine?
The InChIKey is SERQIQLGZHVGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c16-12-14-4-1-2-5-15(14)18-10-3-9-17-11-8-13-6-7-13/h1-2,4-5,13H,3,6-12,16H2.
What are the key properties of [2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine?
[2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine is sourced from PubChem (CID 114157324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).