4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine

C14H23NO — CID 62320365

IUPAC4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine
SMILESCNC(CCc1cc(C)cc(C)c1)COC
InChIInChI=1S/C14H23NO/c1-11-7-12(2)9-13(8-11)5-6-14(15-3)10-16-4/h7-9,14-15H,5-6,10H2,1-4H3
InChIKeyNTKNNXFHEGUMDH-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.47
Rot. Bonds6

About 4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine

4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine (PubChem CID 62320365) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine
PubChem CID62320365
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine
SMILESCNC(CCc1cc(C)cc(C)c1)COC
InChIInChI=1S/C14H23NO/c1-11-7-12(2)9-13(8-11)5-6-14(15-3)10-16-4/h7-9,14-15H,5-6,10H2,1-4H3
InChIKeyNTKNNXFHEGUMDH-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine
CID 62318913
1-(3-chloro-4-methoxybutyl)-3,5-dimethylbenzene
CID 62318557
1-[(3,5-dimethylphenyl)methylsulfonyl]-3-methoxy-N-methylpropan-2-amine
CID 107508858
1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 62319829
4-(3-bromo-4-fluorophenyl)-1-methoxy-N-methylbutan-2-amine
CID 62318731
1-(2-methoxyethyl)-3,5-dimethylbenzene
CID 145478416
1-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
CID 63352437
1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105165685
5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 65092092
1,3-dimethoxy-N-methylpropan-2-amine;ethane
CID 171819113
4-(3,5-dimethylphenoxy)-3-(methylamino)butan-1-ol
CID 64897598
1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine
CID 61412351

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine?
The IUPAC name of 4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine (CID 62320365) is 4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine?
The canonical SMILES for 4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine is CNC(CCc1cc(C)cc(C)c1)COC.
What is the InChIKey of 4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine?
The InChIKey is NTKNNXFHEGUMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-7-12(2)9-13(8-11)5-6-14(15-3)10-16-4/h7-9,14-15H,5-6,10H2,1-4H3.
What are the key properties of 4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine?
4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine is sourced from PubChem (CID 62320365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).