N-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine

C15H25NO — CID 105351152

IUPACN-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine
SMILESCNCCc1ccc(COC(C)C(C)C)cc1
InChIInChI=1S/C15H25NO/c1-12(2)13(3)17-11-15-7-5-14(6-8-15)9-10-16-4/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyNUBUUBQJGSEGOR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.01
Rot. Bonds7

About N-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine

N-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine (PubChem CID 105351152) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine
PubChem CID105351152
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine
SMILESCNCCc1ccc(COC(C)C(C)C)cc1
InChIInChI=1S/C15H25NO/c1-12(2)13(3)17-11-15-7-5-14(6-8-15)9-10-16-4/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyNUBUUBQJGSEGOR-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine
CID 105348927
4-[4-[2-(methylamino)ethyl]phenoxy]phenol
CID 11514269
2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine
CID 84780792
N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine
CID 105350948
2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine
CID 105350569
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697
2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine
CID 155050815
2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine
CID 117304334
2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine
CID 105349652
2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide
CID 105351558

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine (CID 105351152) is N-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine is CNCCc1ccc(COC(C)C(C)C)cc1.
What is the InChIKey of N-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine?
The InChIKey is NUBUUBQJGSEGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)13(3)17-11-15-7-5-14(6-8-15)9-10-16-4/h5-8,12-13,16H,9-11H2,1-4H3.
What are the key properties of N-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine?
N-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine is sourced from PubChem (CID 105351152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).