2-[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]ethanamine

C19H25NO2 — CID 82353285

IUPAC2-[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]ethanamine
SMILESCc1cccc(OCCCOc2ccc(CCN)cc2)c1C
InChIInChI=1S/C19H25NO2/c1-15-5-3-6-19(16(15)2)22-14-4-13-21-18-9-7-17(8-10-18)11-12-20/h3,5-10H,4,11-14,20H2,1-2H3
InChIKeyMJGBMDDOJJQQPY-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.65
Rot. Bonds8

About 2-[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]ethanamine

2-[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]ethanamine (PubChem CID 82353285) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]ethanamine
PubChem CID82353285
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]ethanamine
SMILESCc1cccc(OCCCOc2ccc(CCN)cc2)c1C
InChIInChI=1S/C19H25NO2/c1-15-5-3-6-19(16(15)2)22-14-4-13-21-18-9-7-17(8-10-18)11-12-20/h3,5-10H,4,11-14,20H2,1-2H3
InChIKeyMJGBMDDOJJQQPY-UHFFFAOYSA-N
XLogP3.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.65
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

3-[4-[2-(2,3-dimethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20987004
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
2-[6-(2,3-dimethylphenoxy)-3-pyridinyl]ethanamine
CID 80640428
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
2-methyl-3-[3-(4-methylphenoxy)propoxy]aniline
CID 82097227
N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine
CID 82339438
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 16775885
1-(3-bromopropoxy)-2,3-dimethylbenzene
CID 6483771
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine
CID 22684363
2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]ethanamine (CID 82353285) is 2-[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]ethanamine is Cc1cccc(OCCCOc2ccc(CCN)cc2)c1C.
What is the InChIKey of 2-[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]ethanamine?
The InChIKey is MJGBMDDOJJQQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-15-5-3-6-19(16(15)2)22-14-4-13-21-18-9-7-17(8-10-18)11-12-20/h3,5-10H,4,11-14,20H2,1-2H3.
What are the key properties of 2-[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]ethanamine?
2-[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]ethanamine has a molecular weight of 299.41 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]ethanamine is sourced from PubChem (CID 82353285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).