1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine

C14H23NO — CID 105165085

IUPAC1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine
SMILESCCOCC(CCc1ccccc1C)NC
InChIInChI=1S/C14H23NO/c1-4-16-11-14(15-3)10-9-13-8-6-5-7-12(13)2/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyBPUOFJOUTXASCA-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.55
Rot. Bonds7

About 1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine

1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine (PubChem CID 105165085) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine
PubChem CID105165085
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine
SMILESCCOCC(CCc1ccccc1C)NC
InChIInChI=1S/C14H23NO/c1-4-16-11-14(15-3)10-9-13-8-6-5-7-12(13)2/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyBPUOFJOUTXASCA-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylphenyl)octan-3-amine
CID 105129664
N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine
CID 114984191
4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165477
N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine
CID 105140044
5-ethyl-N-methyl-1-(2-methylphenyl)nonan-3-amine
CID 105103019
1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 62367103
N-methyl-1-(2-methylphenyl)butan-2-amine
CID 60820425
1-ethoxy-N-methyl-3-phenoxypropan-2-amine
CID 79574032
N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 105159025
N-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine
CID 105138690
1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 63528467
N,5-diethyl-1-(2-methylphenyl)heptan-3-amine
CID 105176885

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine?
The IUPAC name of 1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine (CID 105165085) is 1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine?
The canonical SMILES for 1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine is CCOCC(CCc1ccccc1C)NC.
What is the InChIKey of 1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine?
The InChIKey is BPUOFJOUTXASCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-16-11-14(15-3)10-9-13-8-6-5-7-12(13)2/h5-8,14-15H,4,9-11H2,1-3H3.
What are the key properties of 1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine?
1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine is sourced from PubChem (CID 105165085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).