2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine

C15H23NO — CID 62570863

IUPAC2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)Oc1cccc(C(C)C)c1
InChIInChI=1S/C15H23NO/c1-5-9-16-11-13(4)17-15-8-6-7-14(10-15)12(2)3/h5-8,10,12-13,16H,1,9,11H2,2-4H3
InChIKeyXWQDFDNIQJTFEL-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.35
Rot. Bonds7

About 2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine

2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine (PubChem CID 62570863) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
PubChem CID62570863
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)Oc1cccc(C(C)C)c1
InChIInChI=1S/C15H23NO/c1-5-9-16-11-13(4)17-15-8-6-7-14(10-15)12(2)3/h5-8,10,12-13,16H,1,9,11H2,2-4H3
InChIKeyXWQDFDNIQJTFEL-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine
CID 62571235
2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62572417
2-(3-propan-2-ylphenoxy)propan-1-ol
CID 82075961
2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine
CID 55195324
N-[1-[3-(difluoromethoxy)phenyl]ethyl]prop-2-en-1-amine
CID 43200528
2-(4-butylphenoxy)-N-prop-2-enylpropan-1-amine
CID 115493408
4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453134
N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine
CID 62454693
2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60878639
N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453840
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine
CID 107875745

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine (CID 62570863) is 2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine is C=CCNCC(C)Oc1cccc(C(C)C)c1.
What is the InChIKey of 2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine?
The InChIKey is XWQDFDNIQJTFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-9-16-11-13(4)17-15-8-6-7-14(10-15)12(2)3/h5-8,10,12-13,16H,1,9,11H2,2-4H3.
What are the key properties of 2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine?
2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 62570863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).