[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine

C13H19NO2 — CID 60879625

IUPAC[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine
SMILESCOc1ccc(CN)cc1OCC=C(C)C
InChIInChI=1S/C13H19NO2/c1-10(2)6-7-16-13-8-11(9-14)4-5-12(13)15-3/h4-6,8H,7,9,14H2,1-3H3
InChIKeyTVKSKXLZDUZDGZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.50
Rot. Bonds5

About [4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine

[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine (PubChem CID 60879625) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine
PubChem CID60879625
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine
SMILESCOc1ccc(CN)cc1OCC=C(C)C
InChIInChI=1S/C13H19NO2/c1-10(2)6-7-16-13-8-11(9-14)4-5-12(13)15-3/h4-6,8H,7,9,14H2,1-3H3
InChIKeyTVKSKXLZDUZDGZ-UHFFFAOYSA-N
XLogP2.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63057303
1-methoxy-2-(3-methylbut-2-enoxy)benzene
CID 59165590
methyl 4-methoxy-3-(3-methylbut-2-enoxy)benzoate
CID 42624942
3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 163079433
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 61268524
4,4-difluoro-1-[[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]methyl]piperidine
CID 77098042
[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112587988
(3-heptoxy-4-methoxyphenyl)methanamine
CID 43129051
(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
CID 19871589

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine?
The IUPAC name of [4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine (CID 60879625) is [4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine.
What is the SMILES notation for [4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine?
The canonical SMILES for [4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine is COc1ccc(CN)cc1OCC=C(C)C.
What is the InChIKey of [4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine?
The InChIKey is TVKSKXLZDUZDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)6-7-16-13-8-11(9-14)4-5-12(13)15-3/h4-6,8H,7,9,14H2,1-3H3.
What are the key properties of [4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine?
[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine is sourced from PubChem (CID 60879625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).