2-(2-prop-1-enylphenoxy)propan-1-amine

C12H17NO — CID 76943563

IUPAC2-(2-prop-1-enylphenoxy)propan-1-amine
SMILESCC=Cc1ccccc1OC(C)CN
InChIInChI=1S/C12H17NO/c1-3-6-11-7-4-5-8-12(11)14-10(2)9-13/h3-8,10H,9,13H2,1-2H3
InChIKeyATBRVEOQJDSLQU-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.45
Rot. Bonds4

About 2-(2-prop-1-enylphenoxy)propan-1-amine

2-(2-prop-1-enylphenoxy)propan-1-amine (PubChem CID 76943563) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(2-prop-1-enylphenoxy)propan-1-amine.

Molecular Properties

Compound Name2-(2-prop-1-enylphenoxy)propan-1-amine
PubChem CID76943563
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(2-prop-1-enylphenoxy)propan-1-amine
SMILESCC=Cc1ccccc1OC(C)CN
InChIInChI=1S/C12H17NO/c1-3-6-11-7-4-5-8-12(11)14-10(2)9-13/h3-8,10H,9,13H2,1-2H3
InChIKeyATBRVEOQJDSLQU-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-1-enylphenoxy)propan-1-amine?
The IUPAC name of 2-(2-prop-1-enylphenoxy)propan-1-amine (CID 76943563) is 2-(2-prop-1-enylphenoxy)propan-1-amine.
What is the SMILES notation for 2-(2-prop-1-enylphenoxy)propan-1-amine?
The canonical SMILES for 2-(2-prop-1-enylphenoxy)propan-1-amine is CC=Cc1ccccc1OC(C)CN.
What is the InChIKey of 2-(2-prop-1-enylphenoxy)propan-1-amine?
The InChIKey is ATBRVEOQJDSLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-6-11-7-4-5-8-12(11)14-10(2)9-13/h3-8,10H,9,13H2,1-2H3.
What are the key properties of 2-(2-prop-1-enylphenoxy)propan-1-amine?
2-(2-prop-1-enylphenoxy)propan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-1-enylphenoxy)propan-1-amine is sourced from PubChem (CID 76943563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).