(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine

C14H23NO2 — CID 81357099

IUPAC(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCOCCOCCN[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C14H23NO2/c1-12-4-6-14(7-5-12)13(2)15-8-9-17-11-10-16-3/h4-7,13,15H,8-11H2,1-3H3/t13-/m1/s1
InChIKeyGZCBSQFHQFEMSF-CYBMUJFWSA-N
MW237.34 g/mol
LogP2.31
Rot. Bonds8

About (1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine

(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine (PubChem CID 81357099) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
PubChem CID81357099
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCOCCOCCN[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C14H23NO2/c1-12-4-6-14(7-5-12)13(2)15-8-9-17-11-10-16-3/h4-7,13,15H,8-11H2,1-3H3/t13-/m1/s1
InChIKeyGZCBSQFHQFEMSF-CYBMUJFWSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.31
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

(1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 103179242
(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
(1S)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81370691
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine
CID 104562502
1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
CID 104561982
(1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 113355515
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28720966
3-(2-methoxyethoxy)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28720895
(1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine
CID 81382702
N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine
CID 82715665
(1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine
CID 93281051
methyl 3-[1-(4-methylphenyl)ethylamino]propanoate
CID 43139755

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine (CID 81357099) is (1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine is COCCOCCN[C@H](C)c1ccc(C)cc1.
What is the InChIKey of (1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is GZCBSQFHQFEMSF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12-4-6-14(7-5-12)13(2)15-8-9-17-11-10-16-3/h4-7,13,15H,8-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine?
(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81357099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).