N-[2-methoxy-2-(4-methylphenyl)ethyl]-N-methylpropan-2-amine

C14H23NO — CID 158184053

IUPACN-[2-methoxy-2-(4-methylphenyl)ethyl]-N-methylpropan-2-amine
SMILESCOC(CN(C)C(C)C)c1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-11(2)15(4)10-14(16-5)13-8-6-12(3)7-9-13/h6-9,11,14H,10H2,1-5H3
InChIKeyINIDTBZXRWNEBE-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.02
Rot. Bonds5

About N-[2-methoxy-2-(4-methylphenyl)ethyl]-N-methylpropan-2-amine

N-[2-methoxy-2-(4-methylphenyl)ethyl]-N-methylpropan-2-amine (PubChem CID 158184053) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[2-methoxy-2-(4-methylphenyl)ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-methoxy-2-(4-methylphenyl)ethyl]-N-methylpropan-2-amine
PubChem CID158184053
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[2-methoxy-2-(4-methylphenyl)ethyl]-N-methylpropan-2-amine
SMILESCOC(CN(C)C(C)C)c1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-11(2)15(4)10-14(16-5)13-8-6-12(3)7-9-13/h6-9,11,14H,10H2,1-5H3
InChIKeyINIDTBZXRWNEBE-UHFFFAOYSA-N
XLogP3.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(4-methylphenyl)ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-methoxy-2-(4-methylphenyl)ethyl]-N-methylpropan-2-amine (CID 158184053) is N-[2-methoxy-2-(4-methylphenyl)ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-methoxy-2-(4-methylphenyl)ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-methoxy-2-(4-methylphenyl)ethyl]-N-methylpropan-2-amine is COC(CN(C)C(C)C)c1ccc(C)cc1.
What is the InChIKey of N-[2-methoxy-2-(4-methylphenyl)ethyl]-N-methylpropan-2-amine?
The InChIKey is INIDTBZXRWNEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)15(4)10-14(16-5)13-8-6-12(3)7-9-13/h6-9,11,14H,10H2,1-5H3.
What are the key properties of N-[2-methoxy-2-(4-methylphenyl)ethyl]-N-methylpropan-2-amine?
N-[2-methoxy-2-(4-methylphenyl)ethyl]-N-methylpropan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(4-methylphenyl)ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 158184053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).