5-(1-amino-2-methoxyethyl)-2-methylaniline

C10H16N2O — CID 55293794

IUPAC5-(1-amino-2-methoxyethyl)-2-methylaniline
SMILESCOCC(N)c1ccc(C)c(N)c1
InChIInChI=1S/C10H16N2O/c1-7-3-4-8(5-9(7)11)10(12)6-13-2/h3-5,10H,6,11-12H2,1-2H3
InChIKeyOHFHAEWPZMBDSH-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.22
Rot. Bonds3

About 5-(1-amino-2-methoxyethyl)-2-methylaniline

5-(1-amino-2-methoxyethyl)-2-methylaniline (PubChem CID 55293794) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(1-amino-2-methoxyethyl)-2-methylaniline.

Molecular Properties

Compound Name5-(1-amino-2-methoxyethyl)-2-methylaniline
PubChem CID55293794
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-(1-amino-2-methoxyethyl)-2-methylaniline
SMILESCOCC(N)c1ccc(C)c(N)c1
InChIInChI=1S/C10H16N2O/c1-7-3-4-8(5-9(7)11)10(12)6-13-2/h3-5,10H,6,11-12H2,1-2H3
InChIKeyOHFHAEWPZMBDSH-UHFFFAOYSA-N
XLogP1.22
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(3,4-dibromophenyl)-2-methoxyethanamine
CID 130739602
1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine
CID 43184533
3-[(1S)-1-amino-2-methoxyethyl]aniline
CID 55291978
4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol
CID 130658137
1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 82071614
5-(1-methoxyethyl)-2-methylaniline
CID 102569795
1-(3-fluorophenyl)-2-methoxyethanamine
CID 45283501
(1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine
CID 55272435
(1S)-1-(4-bromophenyl)-2-methoxyethanamine
CID 95448248
4-[(1S)-1-amino-2-methoxyethyl]phenol
CID 55292260
1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
CID 43184504
(1R)-2-methoxy-1-(3-propan-2-ylphenyl)ethanamine
CID 55295618

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methoxyethyl)-2-methylaniline?
The IUPAC name of 5-(1-amino-2-methoxyethyl)-2-methylaniline (CID 55293794) is 5-(1-amino-2-methoxyethyl)-2-methylaniline.
What is the SMILES notation for 5-(1-amino-2-methoxyethyl)-2-methylaniline?
The canonical SMILES for 5-(1-amino-2-methoxyethyl)-2-methylaniline is COCC(N)c1ccc(C)c(N)c1.
What is the InChIKey of 5-(1-amino-2-methoxyethyl)-2-methylaniline?
The InChIKey is OHFHAEWPZMBDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-3-4-8(5-9(7)11)10(12)6-13-2/h3-5,10H,6,11-12H2,1-2H3.
What are the key properties of 5-(1-amino-2-methoxyethyl)-2-methylaniline?
5-(1-amino-2-methoxyethyl)-2-methylaniline has a molecular weight of 180.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methoxyethyl)-2-methylaniline is sourced from PubChem (CID 55293794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).