N,2,2-trimethyl-3-(3-phenylprop-2-enoxy)propan-1-amine

C15H23NO — CID 79627884

IUPACN,2,2-trimethyl-3-(3-phenylprop-2-enoxy)propan-1-amine
SMILESCNCC(C)(C)COCC=Cc1ccccc1
InChIInChI=1S/C15H23NO/c1-15(2,12-16-3)13-17-11-7-10-14-8-5-4-6-9-14/h4-10,16H,11-13H2,1-3H3
InChIKeyMIFDMMPSSYQVTO-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.96
Rot. Bonds7

About N,2,2-trimethyl-3-(3-phenylprop-2-enoxy)propan-1-amine

N,2,2-trimethyl-3-(3-phenylprop-2-enoxy)propan-1-amine (PubChem CID 79627884) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(3-phenylprop-2-enoxy)propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(3-phenylprop-2-enoxy)propan-1-amine
PubChem CID79627884
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN,2,2-trimethyl-3-(3-phenylprop-2-enoxy)propan-1-amine
SMILESCNCC(C)(C)COCC=Cc1ccccc1
InChIInChI=1S/C15H23NO/c1-15(2,12-16-3)13-17-11-7-10-14-8-5-4-6-9-14/h4-10,16H,11-13H2,1-3H3
InChIKeyMIFDMMPSSYQVTO-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 79627713
2-methyl-1-(3-phenylprop-2-enoxy)butan-2-amine
CID 77047305
N-methyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine
CID 103074243
3-(2-bromoethoxy)prop-1-enylbenzene
CID 72731799
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene
CID 46845176
[(E)-3-[(E)-4-iodobut-2-enoxy]prop-1-enyl]benzene
CID 135085265
1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol
CID 12797749
1,3,5-tris[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 15531172
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
1-(3-phenylprop-2-enoxy)propan-2-ol
CID 70377991
2-(dimethylamino)-3,3-dimethyl-1-phenyl-4-[(E)-3-phenylprop-2-enoxy]butan-1-one
CID 102462865

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(3-phenylprop-2-enoxy)propan-1-amine?
The IUPAC name of N,2,2-trimethyl-3-(3-phenylprop-2-enoxy)propan-1-amine (CID 79627884) is N,2,2-trimethyl-3-(3-phenylprop-2-enoxy)propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-3-(3-phenylprop-2-enoxy)propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-3-(3-phenylprop-2-enoxy)propan-1-amine is CNCC(C)(C)COCC=Cc1ccccc1.
What is the InChIKey of N,2,2-trimethyl-3-(3-phenylprop-2-enoxy)propan-1-amine?
The InChIKey is MIFDMMPSSYQVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,12-16-3)13-17-11-7-10-14-8-5-4-6-9-14/h4-10,16H,11-13H2,1-3H3.
What are the key properties of N,2,2-trimethyl-3-(3-phenylprop-2-enoxy)propan-1-amine?
N,2,2-trimethyl-3-(3-phenylprop-2-enoxy)propan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(3-phenylprop-2-enoxy)propan-1-amine is sourced from PubChem (CID 79627884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).