(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine

C12H19NO — CID 26601188

IUPAC(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
SMILESCOCCN[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C12H19NO/c1-10-4-6-12(7-5-10)11(2)13-8-9-14-3/h4-7,11,13H,8-9H2,1-3H3/t11-/m0/s1
InChIKeyBSZGDGNAHWJVFM-NSHDSACASA-N
MW193.29 g/mol
LogP2.29
Rot. Bonds5

About (1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine

(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine (PubChem CID 26601188) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
PubChem CID26601188
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
SMILESCOCCN[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C12H19NO/c1-10-4-6-12(7-5-10)11(2)13-8-9-14-3/h4-7,11,13H,8-9H2,1-3H3/t11-/m0/s1
InChIKeyBSZGDGNAHWJVFM-NSHDSACASA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357099
(1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 103179242
(1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 113355515
(1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine
CID 93281051
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine
CID 104628706
3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 43207255
4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 43426324
N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine
CID 82715665
methyl 3-[1-(4-methylphenyl)ethylamino]propanoate
CID 43139755
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
2-(2-methoxyethylamino)-2-(4-methylphenyl)acetonitrile
CID 62542043

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine (CID 26601188) is (1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine is COCCN[C@@H](C)c1ccc(C)cc1.
What is the InChIKey of (1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine?
The InChIKey is BSZGDGNAHWJVFM-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO/c1-10-4-6-12(7-5-10)11(2)13-8-9-14-3/h4-7,11,13H,8-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine?
(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 26601188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).