N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine

C14H23NO — CID 43505072

IUPACN-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine
SMILESCNC(C)c1cc(C)ccc1OCC(C)C
InChIInChI=1S/C14H23NO/c1-10(2)9-16-14-7-6-11(3)8-13(14)12(4)15-5/h6-8,10,12,15H,9H2,1-5H3
InChIKeyBKHUOQKCRJQKMJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.31
Rot. Bonds5

About N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine

N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine (PubChem CID 43505072) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine
PubChem CID43505072
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine
SMILESCNC(C)c1cc(C)ccc1OCC(C)C
InChIInChI=1S/C14H23NO/c1-10(2)9-16-14-7-6-11(3)8-13(14)12(4)15-5/h6-8,10,12,15H,9H2,1-5H3
InChIKeyBKHUOQKCRJQKMJ-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine
CID 62103815
2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43505066
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile
CID 60889997
N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 43505135
5-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]pentanenitrile
CID 54966103
1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 103156475
1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine
CID 63499730
N-methyl-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 43505122
N-methyl-1-[5-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]ethanamine
CID 116615019
1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine
CID 106929188
N-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 62340692
N-methyl-1-[5-methyl-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880374

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine (CID 43505072) is N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine is CNC(C)c1cc(C)ccc1OCC(C)C.
What is the InChIKey of N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine?
The InChIKey is BKHUOQKCRJQKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)9-16-14-7-6-11(3)8-13(14)12(4)15-5/h6-8,10,12,15H,9H2,1-5H3.
What are the key properties of N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine?
N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 43505072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).