1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine

C15H26N2O2 — CID 79679962

IUPAC1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COCCOc1cccc(CN)c1
InChIInChI=1S/C15H26N2O2/c1-15(2,17(3)4)12-18-8-9-19-14-7-5-6-13(10-14)11-16/h5-7,10H,8-9,11-12,16H2,1-4H3
InChIKeyMUIMXNYEGHVRQV-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.88
Rot. Bonds8

About 1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine

1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine (PubChem CID 79679962) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine
PubChem CID79679962
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COCCOc1cccc(CN)c1
InChIInChI=1S/C15H26N2O2/c1-15(2,17(3)4)12-18-8-9-19-14-7-5-6-13(10-14)11-16/h5-7,10H,8-9,11-12,16H2,1-4H3
InChIKeyMUIMXNYEGHVRQV-UHFFFAOYSA-N
XLogP1.88
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.88
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-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
[3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine
CID 82955995
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 43254178
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354124
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
3-[2-[2-[2-[2-[2-[3-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;hydrochloride
CID 164593214
[3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine
CID 43254310

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine (CID 79679962) is 1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine is CN(C)C(C)(C)COCCOc1cccc(CN)c1.
What is the InChIKey of 1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine?
The InChIKey is MUIMXNYEGHVRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2,17(3)4)12-18-8-9-19-14-7-5-6-13(10-14)11-16/h5-7,10H,8-9,11-12,16H2,1-4H3.
What are the key properties of 1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine?
1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine has a molecular weight of 266.38 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 79679962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).