1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine

C13H21NO2 — CID 117320593

IUPAC1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine
SMILESCOCC(OC)c1ccccc1CC(C)N
InChIInChI=1S/C13H21NO2/c1-10(14)8-11-6-4-5-7-12(11)13(16-3)9-15-2/h4-7,10,13H,8-9,14H2,1-3H3
InChIKeyUMKYMNYCYQZCGF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.91
Rot. Bonds6

About 1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine

1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine (PubChem CID 117320593) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine
PubChem CID117320593
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine
SMILESCOCC(OC)c1ccccc1CC(C)N
InChIInChI=1S/C13H21NO2/c1-10(14)8-11-6-4-5-7-12(11)13(16-3)9-15-2/h4-7,10,13H,8-9,14H2,1-3H3
InChIKeyUMKYMNYCYQZCGF-UHFFFAOYSA-N
XLogP1.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-methoxyethyl)phenyl]propan-2-amine
CID 117111257
1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
CID 113437064
4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid
CID 117383892
3-[2-(1,2-dimethoxyethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117420017
3-amino-3-[2-(1,2-dimethoxyethyl)phenyl]propanoic acid
CID 117385801
1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine
CID 63818813
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine
CID 117287115
2-(1,2-dimethoxyethyl)benzaldehyde
CID 117275927
(1R)-1-(2-ethylphenyl)-2-methoxyethanamine
CID 146013091
2-[2-(1,2-dimethoxyethyl)phenyl]-2-hydroxyacetic acid
CID 117353042
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine (CID 117320593) is 1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine is COCC(OC)c1ccccc1CC(C)N.
What is the InChIKey of 1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine?
The InChIKey is UMKYMNYCYQZCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(14)8-11-6-4-5-7-12(11)13(16-3)9-15-2/h4-7,10,13H,8-9,14H2,1-3H3.
What are the key properties of 1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine?
1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine is sourced from PubChem (CID 117320593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).