1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine

C13H21NO2 — CID 105165685

IUPAC1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
SMILESCNC(CCOc1cccc(C)c1)COC
InChIInChI=1S/C13H21NO2/c1-11-5-4-6-13(9-11)16-8-7-12(14-2)10-15-3/h4-6,9,12,14H,7-8,10H2,1-3H3
InChIKeyNGSPJNMSHFVGEK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.00
Rot. Bonds7

About 1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine

1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine (PubChem CID 105165685) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
PubChem CID105165685
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
SMILESCNC(CCOc1cccc(C)c1)COC
InChIInChI=1S/C13H21NO2/c1-11-5-4-6-13(9-11)16-8-7-12(14-2)10-15-3/h4-6,9,12,14H,7-8,10H2,1-3H3
InChIKeyNGSPJNMSHFVGEK-UHFFFAOYSA-N
XLogP2.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine
CID 54970505
1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105177460
N-methyl-1-(3-methylphenoxy)butan-2-amine
CID 62038283
[6-methyl-1-(3-methylphenoxy)heptan-3-yl]hydrazine
CID 105294303
1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105157450
N,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine
CID 105163437
1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine
CID 105120506
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744
N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine
CID 105156705
[4-(3-methylphenoxy)-1-phenylbutan-2-yl]hydrazine
CID 105283208
1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine
CID 105281608

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine (CID 105165685) is 1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine is CNC(CCOc1cccc(C)c1)COC.
What is the InChIKey of 1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine?
The InChIKey is NGSPJNMSHFVGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11-5-4-6-13(9-11)16-8-7-12(14-2)10-15-3/h4-6,9,12,14H,7-8,10H2,1-3H3.
What are the key properties of 1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine?
1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine is sourced from PubChem (CID 105165685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).