3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine

C15H26N2O — CID 114526284

IUPAC3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine
SMILESCc1cc(CCN)cc(C)c1OCCCN(C)C
InChIInChI=1S/C15H26N2O/c1-12-10-14(6-7-16)11-13(2)15(12)18-9-5-8-17(3)4/h10-11H,5-9,16H2,1-4H3
InChIKeyOAGQJGZBJKEAMR-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.14
Rot. Bonds7

About 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine

3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 114526284) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine
PubChem CID114526284
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine
SMILESCc1cc(CCN)cc(C)c1OCCCN(C)C
InChIInChI=1S/C15H26N2O/c1-12-10-14(6-7-16)11-13(2)15(12)18-9-5-8-17(3)4/h10-11H,5-9,16H2,1-4H3
InChIKeyOAGQJGZBJKEAMR-UHFFFAOYSA-N
XLogP2.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.14
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-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine
CID 81113900
3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine
CID 170866561
2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane
CID 145332218
3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 107692701
2-[3,5-dimethyl-4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]ethanamine
CID 116617103
4-[3-(dimethylamino)propoxy]-3,5-dimethylbenzenesulfonyl chloride
CID 114525006
3-(4-bromo-2,6-dimethylphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid
CID 2934516
3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide
CID 62627959
2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 63421326
2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 65477113
2-[3,5-dimethyl-4-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanamine
CID 106705596
N'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 80634571

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine (CID 114526284) is 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine is Cc1cc(CCN)cc(C)c1OCCCN(C)C.
What is the InChIKey of 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is OAGQJGZBJKEAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-10-14(6-7-16)11-13(2)15(12)18-9-5-8-17(3)4/h10-11H,5-9,16H2,1-4H3.
What are the key properties of 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine?
3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 114526284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).