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

C12H19NO — CID 62038283

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-methyl-1-(3-methylphenoxy)butan-2-amine
SMILESCCC(COc1cccc(C)c1)NC
InChIInChI=1S/C12H19NO/c1-4-11(13-3)9-14-12-7-5-6-10(2)8-12/h5-8,11,13H,4,9H2,1-3H3
InChIKeyJYGKDCWADPXTCR-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.37
Rot. Bonds5

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

N-methyl-1-(3-methylphenoxy)butan-2-amine (PubChem CID 62038283) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenoxy)butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenoxy)butan-2-amine
PubChem CID62038283
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-methyl-1-(3-methylphenoxy)butan-2-amine
SMILESCCC(COc1cccc(C)c1)NC
InChIInChI=1S/C12H19NO/c1-4-11(13-3)9-14-12-7-5-6-10(2)8-12/h5-8,11,13H,4,9H2,1-3H3
InChIKeyJYGKDCWADPXTCR-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenoxy)butan-2-amine?
The IUPAC name of N-methyl-1-(3-methylphenoxy)butan-2-amine (CID 62038283) is N-methyl-1-(3-methylphenoxy)butan-2-amine.
What is the SMILES notation for N-methyl-1-(3-methylphenoxy)butan-2-amine?
The canonical SMILES for N-methyl-1-(3-methylphenoxy)butan-2-amine is CCC(COc1cccc(C)c1)NC.
What is the InChIKey of N-methyl-1-(3-methylphenoxy)butan-2-amine?
The InChIKey is JYGKDCWADPXTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-11(13-3)9-14-12-7-5-6-10(2)8-12/h5-8,11,13H,4,9H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylphenoxy)butan-2-amine?
N-methyl-1-(3-methylphenoxy)butan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylphenoxy)butan-2-amine is sourced from PubChem (CID 62038283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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