2-methyl-1-(2-phenoxyethoxy)butan-2-amine

C13H21NO2 — CID 64573594

IUPAC2-methyl-1-(2-phenoxyethoxy)butan-2-amine
SMILESCCC(C)(N)COCCOc1ccccc1
InChIInChI=1S/C13H21NO2/c1-3-13(2,14)11-15-9-10-16-12-7-5-4-6-8-12/h4-8H,3,9-11,14H2,1-2H3
InChIKeyNRWNODYMILRBEA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.21
Rot. Bonds7

About 2-methyl-1-(2-phenoxyethoxy)butan-2-amine

2-methyl-1-(2-phenoxyethoxy)butan-2-amine (PubChem CID 64573594) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-1-(2-phenoxyethoxy)butan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(2-phenoxyethoxy)butan-2-amine
PubChem CID64573594
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-methyl-1-(2-phenoxyethoxy)butan-2-amine
SMILESCCC(C)(N)COCCOc1ccccc1
InChIInChI=1S/C13H21NO2/c1-3-13(2,14)11-15-9-10-16-12-7-5-4-6-8-12/h4-8H,3,9-11,14H2,1-2H3
InChIKeyNRWNODYMILRBEA-UHFFFAOYSA-N
XLogP2.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.21
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-methyl-1-(3-phenoxypropoxy)propan-2-amine
CID 64537390
2,2-dimethyl-3-(2-phenoxyethoxy)propanoic acid
CID 79623125
2-pentoxyethoxybenzene
CID 54431229
1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354145
2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol
CID 64803815
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium
CID 57258749
1-[2-(4-bromophenoxy)ethoxy]-2-methylpropan-2-amine
CID 64537776
1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354124

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenoxyethoxy)butan-2-amine?
The IUPAC name of 2-methyl-1-(2-phenoxyethoxy)butan-2-amine (CID 64573594) is 2-methyl-1-(2-phenoxyethoxy)butan-2-amine.
What is the SMILES notation for 2-methyl-1-(2-phenoxyethoxy)butan-2-amine?
The canonical SMILES for 2-methyl-1-(2-phenoxyethoxy)butan-2-amine is CCC(C)(N)COCCOc1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenoxyethoxy)butan-2-amine?
The InChIKey is NRWNODYMILRBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-13(2,14)11-15-9-10-16-12-7-5-4-6-8-12/h4-8H,3,9-11,14H2,1-2H3.
What are the key properties of 2-methyl-1-(2-phenoxyethoxy)butan-2-amine?
2-methyl-1-(2-phenoxyethoxy)butan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenoxyethoxy)butan-2-amine is sourced from PubChem (CID 64573594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).