N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine

C15H23NO — CID 55148751

IUPACN-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESC/C=C/COc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C15H23NO/c1-5-6-10-17-14-9-7-8-13(11-14)12-16-15(2,3)4/h5-9,11,16H,10,12H2,1-4H3/b6-5+
InChIKeyFTWOZJNAHZUZFE-AATRIKPKSA-N
MW233.35 g/mol
LogP3.53
Rot. Bonds5

About N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine

N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 55148751) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID55148751
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESC/C=C/COc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C15H23NO/c1-5-6-10-17-14-9-7-8-13(11-14)12-16-15(2,3)4/h5-9,11,16H,10,12H2,1-4H3/b6-5+
InChIKeyFTWOZJNAHZUZFE-AATRIKPKSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.53
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-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine
CID 60883169
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471605
N-[(3-but-3-en-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55145874
2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine
CID 64553938
N-[(3-hept-6-enoxyphenyl)methyl]-2-methylpropan-2-amine
CID 107006178
4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol
CID 113398854
2-[2-[3-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol
CID 63058258
2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62444557
2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine
CID 55192326
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721454

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine (CID 55148751) is N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine is C/C=C/COc1cccc(CNC(C)(C)C)c1.
What is the InChIKey of N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FTWOZJNAHZUZFE-AATRIKPKSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-6-10-17-14-9-7-8-13(11-14)12-16-15(2,3)4/h5-9,11,16H,10,12H2,1-4H3/b6-5+.
What are the key properties of N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55148751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).