3-[3-(2-propylpentoxy)phenyl]propan-1-amine

C17H29NO — CID 25255598

IUPAC3-[3-(2-propylpentoxy)phenyl]propan-1-amine
SMILESCCCC(CCC)COc1cccc(CCCN)c1
InChIInChI=1S/C17H29NO/c1-3-7-16(8-4-2)14-19-17-11-5-9-15(13-17)10-6-12-18/h5,9,11,13,16H,3-4,6-8,10,12,14,18H2,1-2H3
InChIKeyKQZPWHFGQRFKQO-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.17
Rot. Bonds10

About 3-[3-(2-propylpentoxy)phenyl]propan-1-amine

3-[3-(2-propylpentoxy)phenyl]propan-1-amine (PubChem CID 25255598) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-[3-(2-propylpentoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2-propylpentoxy)phenyl]propan-1-amine
PubChem CID25255598
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-[3-(2-propylpentoxy)phenyl]propan-1-amine
SMILESCCCC(CCC)COc1cccc(CCCN)c1
InChIInChI=1S/C17H29NO/c1-3-7-16(8-4-2)14-19-17-11-5-9-15(13-17)10-6-12-18/h5,9,11,13,16H,3-4,6-8,10,12,14,18H2,1-2H3
InChIKeyKQZPWHFGQRFKQO-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-propylpentoxy)phenyl]propan-1-amine?
The IUPAC name of 3-[3-(2-propylpentoxy)phenyl]propan-1-amine (CID 25255598) is 3-[3-(2-propylpentoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-(2-propylpentoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-[3-(2-propylpentoxy)phenyl]propan-1-amine is CCCC(CCC)COc1cccc(CCCN)c1.
What is the InChIKey of 3-[3-(2-propylpentoxy)phenyl]propan-1-amine?
The InChIKey is KQZPWHFGQRFKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-7-16(8-4-2)14-19-17-11-5-9-15(13-17)10-6-12-18/h5,9,11,13,16H,3-4,6-8,10,12,14,18H2,1-2H3.
What are the key properties of 3-[3-(2-propylpentoxy)phenyl]propan-1-amine?
3-[3-(2-propylpentoxy)phenyl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-propylpentoxy)phenyl]propan-1-amine is sourced from PubChem (CID 25255598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).