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

C14H23NO — CID 79615977

IUPAC1-(3,5-dimethylphenyl)-3-methoxy-N-methylbutan-2-amine
SMILESCNC(Cc1cc(C)cc(C)c1)C(C)OC
InChIInChI=1S/C14H23NO/c1-10-6-11(2)8-13(7-10)9-14(15-4)12(3)16-5/h6-8,12,14-15H,9H2,1-5H3
InChIKeyQCPUEUKTLNYMPO-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.47
Rot. Bonds5

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

1-(3,5-dimethylphenyl)-3-methoxy-N-methylbutan-2-amine (PubChem CID 79615977) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-methoxy-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-methoxy-N-methylbutan-2-amine
PubChem CID79615977
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3,5-dimethylphenyl)-3-methoxy-N-methylbutan-2-amine
SMILESCNC(Cc1cc(C)cc(C)c1)C(C)OC
InChIInChI=1S/C14H23NO/c1-10-6-11(2)8-13(7-10)9-14(15-4)12(3)16-5/h6-8,12,14-15H,9H2,1-5H3
InChIKeyQCPUEUKTLNYMPO-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-methoxy-N-methylbutan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-methoxy-N-methylbutan-2-amine (CID 79615977) is 1-(3,5-dimethylphenyl)-3-methoxy-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-methoxy-N-methylbutan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-methoxy-N-methylbutan-2-amine is CNC(Cc1cc(C)cc(C)c1)C(C)OC.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-methoxy-N-methylbutan-2-amine?
The InChIKey is QCPUEUKTLNYMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-6-11(2)8-13(7-10)9-14(15-4)12(3)16-5/h6-8,12,14-15H,9H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-methoxy-N-methylbutan-2-amine?
1-(3,5-dimethylphenyl)-3-methoxy-N-methylbutan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-methoxy-N-methylbutan-2-amine is sourced from PubChem (CID 79615977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).