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

C15H25NO3 — CID 55231654

IUPAC[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
SMILESCCCOCCOCCCOc1cccc(CN)c1
InChIInChI=1S/C15H25NO3/c1-2-7-17-10-11-18-8-4-9-19-15-6-3-5-14(12-15)13-16/h3,5-6,12H,2,4,7-11,13,16H2,1H3
InChIKeyOJKLZYWESFMVIO-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.36
Rot. Bonds11

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

[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine (PubChem CID 55231654) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is [3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
PubChem CID55231654
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
SMILESCCCOCCOCCCOc1cccc(CN)c1
InChIInChI=1S/C15H25NO3/c1-2-7-17-10-11-18-8-4-9-19-15-6-3-5-14(12-15)13-16/h3,5-6,12H,2,4,7-11,13,16H2,1H3
InChIKeyOJKLZYWESFMVIO-UHFFFAOYSA-N
XLogP2.36
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
[3-(3-hexoxypropoxy)phenyl]methanamine
CID 43254403
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
1-butyl-3-(3-propoxypropoxy)benzene
CID 54569777
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
3-(3-propoxypropoxy)aniline
CID 43247836
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol
CID 43531638
[3-[3-(4-methylsulfanylphenoxy)propoxy]phenyl]methanamine
CID 63649819
[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine
CID 43254018
[3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine
CID 22002116

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine?
The IUPAC name of [3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine (CID 55231654) is [3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine.
What is the SMILES notation for [3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine?
The canonical SMILES for [3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine is CCCOCCOCCCOc1cccc(CN)c1.
What is the InChIKey of [3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine?
The InChIKey is OJKLZYWESFMVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-7-17-10-11-18-8-4-9-19-15-6-3-5-14(12-15)13-16/h3,5-6,12H,2,4,7-11,13,16H2,1H3.
What are the key properties of [3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine?
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine has a molecular weight of 267.37 g/mol, XLogP of 2.36, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine is sourced from PubChem (CID 55231654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).