[3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine

C14H21NO — CID 114471375

IUPAC[3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine
SMILESC=C(C)CCOc1c(C)cc(CN)cc1C
InChIInChI=1S/C14H21NO/c1-10(2)5-6-16-14-11(3)7-13(9-15)8-12(14)4/h7-8H,1,5-6,9,15H2,2-4H3
InChIKeyZDHIGWIFOJQUJF-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.11
Rot. Bonds5

About [3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine

[3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine (PubChem CID 114471375) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine
PubChem CID114471375
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine
SMILESC=C(C)CCOc1c(C)cc(CN)cc1C
InChIInChI=1S/C14H21NO/c1-10(2)5-6-16-14-11(3)7-13(9-15)8-12(14)4/h7-8H,1,5-6,9,15H2,2-4H3
InChIKeyZDHIGWIFOJQUJF-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.11
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

N-[[3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methyl]propan-1-amine
CID 114471398
[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine
CID 28967110
3,5-dimethyl-2-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473034
[2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
CID 114470522
[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine
CID 107686387
[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 106449258
5-bromo-3-methyl-2-(3-methylbut-3-enoxy)benzaldehyde
CID 114472688
[3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methanamine
CID 106721606
1-[5-bromo-3-methyl-2-(3-methylbut-3-enoxy)phenyl]-N-methylmethanamine
CID 114471749
[3-bromo-2-(3-methylbut-3-enoxy)phenyl]methanamine
CID 114471527
1,3-dimethyl-5-(3-methylbut-3-enoxy)benzene
CID 114477410
1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine
CID 54930474

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine?
The IUPAC name of [3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine (CID 114471375) is [3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine?
The canonical SMILES for [3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine is C=C(C)CCOc1c(C)cc(CN)cc1C.
What is the InChIKey of [3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine?
The InChIKey is ZDHIGWIFOJQUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)5-6-16-14-11(3)7-13(9-15)8-12(14)4/h7-8H,1,5-6,9,15H2,2-4H3.
What are the key properties of [3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine?
[3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine is sourced from PubChem (CID 114471375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).