N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine

C13H19NO — CID 112608358

IUPACN-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine
SMILESC=C(C)COc1c(C)cccc1CNC
InChIInChI=1S/C13H19NO/c1-10(2)9-15-13-11(3)6-5-7-12(13)8-14-4/h5-7,14H,1,8-9H2,2-4H3
InChIKeyYOQAFQDMXACGGC-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.67
Rot. Bonds5

About N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine

N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine (PubChem CID 112608358) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine
PubChem CID112608358
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine
SMILESC=C(C)COc1c(C)cccc1CNC
InChIInChI=1S/C13H19NO/c1-10(2)9-15-13-11(3)6-5-7-12(13)8-14-4/h5-7,14H,1,8-9H2,2-4H3
InChIKeyYOQAFQDMXACGGC-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene
CID 101178102
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438
2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
CID 112608234
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471737
N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 112608398
1-(2-decoxy-3-methylphenyl)-N-methylmethanamine
CID 115952261
1-[2-(4,4-dimethylpentoxy)-3-methylphenyl]-N-methylmethanamine
CID 114209330
2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 115952262
1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine
CID 60881702
1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952135

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine (CID 112608358) is N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine is C=C(C)COc1c(C)cccc1CNC.
What is the InChIKey of N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine?
The InChIKey is YOQAFQDMXACGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)9-15-13-11(3)6-5-7-12(13)8-14-4/h5-7,14H,1,8-9H2,2-4H3.
What are the key properties of N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine?
N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine is sourced from PubChem (CID 112608358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).