4-(2-prop-1-enylphenoxy)pentan-1-amine

C14H21NO — CID 76943605

IUPAC4-(2-prop-1-enylphenoxy)pentan-1-amine
SMILESCC=Cc1ccccc1OC(C)CCCN
InChIInChI=1S/C14H21NO/c1-3-7-13-9-4-5-10-14(13)16-12(2)8-6-11-15/h3-5,7,9-10,12H,6,8,11,15H2,1-2H3
InChIKeyZQDZPTNXELRUSJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.23
Rot. Bonds6

About 4-(2-prop-1-enylphenoxy)pentan-1-amine

4-(2-prop-1-enylphenoxy)pentan-1-amine (PubChem CID 76943605) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(2-prop-1-enylphenoxy)pentan-1-amine.

Molecular Properties

Compound Name4-(2-prop-1-enylphenoxy)pentan-1-amine
PubChem CID76943605
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(2-prop-1-enylphenoxy)pentan-1-amine
SMILESCC=Cc1ccccc1OC(C)CCCN
InChIInChI=1S/C14H21NO/c1-3-7-13-9-4-5-10-14(13)16-12(2)8-6-11-15/h3-5,7,9-10,12H,6,8,11,15H2,1-2H3
InChIKeyZQDZPTNXELRUSJ-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-prop-1-enylphenoxy)pentan-1-amine?
The IUPAC name of 4-(2-prop-1-enylphenoxy)pentan-1-amine (CID 76943605) is 4-(2-prop-1-enylphenoxy)pentan-1-amine.
What is the SMILES notation for 4-(2-prop-1-enylphenoxy)pentan-1-amine?
The canonical SMILES for 4-(2-prop-1-enylphenoxy)pentan-1-amine is CC=Cc1ccccc1OC(C)CCCN.
What is the InChIKey of 4-(2-prop-1-enylphenoxy)pentan-1-amine?
The InChIKey is ZQDZPTNXELRUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-7-13-9-4-5-10-14(13)16-12(2)8-6-11-15/h3-5,7,9-10,12H,6,8,11,15H2,1-2H3.
What are the key properties of 4-(2-prop-1-enylphenoxy)pentan-1-amine?
4-(2-prop-1-enylphenoxy)pentan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-prop-1-enylphenoxy)pentan-1-amine is sourced from PubChem (CID 76943605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).