N-[(2-but-3-en-2-yloxy-3-methylphenyl)methyl]propan-2-amine

C15H23NO — CID 112610107

IUPACN-[(2-but-3-en-2-yloxy-3-methylphenyl)methyl]propan-2-amine
SMILESC=CC(C)Oc1c(C)cccc1CNC(C)C
InChIInChI=1S/C15H23NO/c1-6-13(5)17-15-12(4)8-7-9-14(15)10-16-11(2)3/h6-9,11,13,16H,1,10H2,2-5H3
InChIKeyZBURVLBKOCJYBB-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.45
Rot. Bonds6

About N-[(2-but-3-en-2-yloxy-3-methylphenyl)methyl]propan-2-amine

N-[(2-but-3-en-2-yloxy-3-methylphenyl)methyl]propan-2-amine (PubChem CID 112610107) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(2-but-3-en-2-yloxy-3-methylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-but-3-en-2-yloxy-3-methylphenyl)methyl]propan-2-amine
PubChem CID112610107
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(2-but-3-en-2-yloxy-3-methylphenyl)methyl]propan-2-amine
SMILESC=CC(C)Oc1c(C)cccc1CNC(C)C
InChIInChI=1S/C15H23NO/c1-6-13(5)17-15-12(4)8-7-9-14(15)10-16-11(2)3/h6-9,11,13,16H,1,10H2,2-5H3
InChIKeyZBURVLBKOCJYBB-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.45
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-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112610137
N-[(2-but-3-en-2-yloxy-5-methylphenyl)methyl]propan-2-amine
CID 63323315
N-[[2-(3,3-dimethylbutoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112610090
N-[(2-heptoxy-3-methylphenyl)methyl]propan-2-amine
CID 115954021
N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954081
1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 112610151
N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954092
N-ethyl-2-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 112610064
N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine
CID 115954063
N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134518
1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608407
N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine
CID 43282794

Frequently Asked Questions

What is the IUPAC name of N-[(2-but-3-en-2-yloxy-3-methylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-but-3-en-2-yloxy-3-methylphenyl)methyl]propan-2-amine (CID 112610107) is N-[(2-but-3-en-2-yloxy-3-methylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-but-3-en-2-yloxy-3-methylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-but-3-en-2-yloxy-3-methylphenyl)methyl]propan-2-amine is C=CC(C)Oc1c(C)cccc1CNC(C)C.
What is the InChIKey of N-[(2-but-3-en-2-yloxy-3-methylphenyl)methyl]propan-2-amine?
The InChIKey is ZBURVLBKOCJYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-6-13(5)17-15-12(4)8-7-9-14(15)10-16-11(2)3/h6-9,11,13,16H,1,10H2,2-5H3.
What are the key properties of N-[(2-but-3-en-2-yloxy-3-methylphenyl)methyl]propan-2-amine?
N-[(2-but-3-en-2-yloxy-3-methylphenyl)methyl]propan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-but-3-en-2-yloxy-3-methylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 112610107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).