4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine

C14H21NO — CID 77110625

IUPAC4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine
SMILESCc1ccc(C(C)C)cc1OCC=CCN
InChIInChI=1S/C14H21NO/c1-11(2)13-7-6-12(3)14(10-13)16-9-5-4-8-15/h4-7,10-11H,8-9,15H2,1-3H3
InChIKeyDXKQZMSIJOEICQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.01
Rot. Bonds5

About 4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine

4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine (PubChem CID 77110625) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine.

Molecular Properties

Compound Name4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine
PubChem CID77110625
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine
SMILESCc1ccc(C(C)C)cc1OCC=CCN
InChIInChI=1S/C14H21NO/c1-11(2)13-7-6-12(3)14(10-13)16-9-5-4-8-15/h4-7,10-11H,8-9,15H2,1-3H3
InChIKeyDXKQZMSIJOEICQ-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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

2-(4-chlorobut-2-enoxy)-1-methyl-4-propan-2-ylbenzene
CID 77051063
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
4-(3-propan-2-ylphenoxy)but-2-en-1-amine
CID 77110614
2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350826
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
CID 82924112
1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene
CID 81005193
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81005195
N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 61036143
2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
N'-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2276634

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine?
The IUPAC name of 4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine (CID 77110625) is 4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine.
What is the SMILES notation for 4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine?
The canonical SMILES for 4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine is Cc1ccc(C(C)C)cc1OCC=CCN.
What is the InChIKey of 4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine?
The InChIKey is DXKQZMSIJOEICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)13-7-6-12(3)14(10-13)16-9-5-4-8-15/h4-7,10-11H,8-9,15H2,1-3H3.
What are the key properties of 4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine?
4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine is sourced from PubChem (CID 77110625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).