N-propan-2-yl-3-(2-prop-2-enylphenoxy)propan-1-amine

C15H23NO — CID 10657300

IUPACN-propan-2-yl-3-(2-prop-2-enylphenoxy)propan-1-amine
SMILESC=CCc1ccccc1OCCCNC(C)C
InChIInChI=1S/C15H23NO/c1-4-8-14-9-5-6-10-15(14)17-12-7-11-16-13(2)3/h4-6,9-10,13,16H,1,7-8,11-12H2,2-3H3
InChIKeyDFULLGARRYNIBF-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.18
Rot. Bonds8

About N-propan-2-yl-3-(2-prop-2-enylphenoxy)propan-1-amine

N-propan-2-yl-3-(2-prop-2-enylphenoxy)propan-1-amine (PubChem CID 10657300) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-propan-2-yl-3-(2-prop-2-enylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(2-prop-2-enylphenoxy)propan-1-amine
PubChem CID10657300
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-propan-2-yl-3-(2-prop-2-enylphenoxy)propan-1-amine
SMILESC=CCc1ccccc1OCCCNC(C)C
InChIInChI=1S/C15H23NO/c1-4-8-14-9-5-6-10-15(14)17-12-7-11-16-13(2)3/h4-6,9-10,13,16H,1,7-8,11-12H2,2-3H3
InChIKeyDFULLGARRYNIBF-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.18
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

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Atomoxetine Hydrochloride
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Alprenolol Hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(2-prop-2-enylphenoxy)propan-1-amine?
The IUPAC name of N-propan-2-yl-3-(2-prop-2-enylphenoxy)propan-1-amine (CID 10657300) is N-propan-2-yl-3-(2-prop-2-enylphenoxy)propan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-(2-prop-2-enylphenoxy)propan-1-amine?
The canonical SMILES for N-propan-2-yl-3-(2-prop-2-enylphenoxy)propan-1-amine is C=CCc1ccccc1OCCCNC(C)C.
What is the InChIKey of N-propan-2-yl-3-(2-prop-2-enylphenoxy)propan-1-amine?
The InChIKey is DFULLGARRYNIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-8-14-9-5-6-10-15(14)17-12-7-11-16-13(2)3/h4-6,9-10,13,16H,1,7-8,11-12H2,2-3H3.
What are the key properties of N-propan-2-yl-3-(2-prop-2-enylphenoxy)propan-1-amine?
N-propan-2-yl-3-(2-prop-2-enylphenoxy)propan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(2-prop-2-enylphenoxy)propan-1-amine is sourced from PubChem (CID 10657300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).