2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine

C13H21NO2 — CID 130536986

IUPAC2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine
SMILESCC(C)(N)COCCOCc1ccccc1
InChIInChI=1S/C13H21NO2/c1-13(2,14)11-16-9-8-15-10-12-6-4-3-5-7-12/h3-7H,8-11,14H2,1-2H3
InChIKeyHTUJDBXIOPWDNI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.96
Rot. Bonds7

About 2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine

2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine (PubChem CID 130536986) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine
PubChem CID130536986
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine
SMILESCC(C)(N)COCCOCc1ccccc1
InChIInChI=1S/C13H21NO2/c1-13(2,14)11-16-9-8-15-10-12-6-4-3-5-7-12/h3-7H,8-11,14H2,1-2H3
InChIKeyHTUJDBXIOPWDNI-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
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-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
CID 14221122
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
2-methyl-4-phenylmethoxybutane-1,2-diamine
CID 90114043
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-methyl-1-(3-phenoxypropoxy)propan-2-amine
CID 64537390
2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol
CID 165127154
ethane;2-phenylmethoxyethanamine
CID 142016503
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine
CID 65476413
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
(3-methyl-3-phenoxybutoxy)methylbenzene
CID 59317010

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine?
The IUPAC name of 2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine (CID 130536986) is 2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine?
The canonical SMILES for 2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine is CC(C)(N)COCCOCc1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine?
The InChIKey is HTUJDBXIOPWDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,14)11-16-9-8-15-10-12-6-4-3-5-7-12/h3-7H,8-11,14H2,1-2H3.
What are the key properties of 2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine?
2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.96, 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-phenylmethoxyethoxy)propan-2-amine is sourced from PubChem (CID 130536986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).