2-[4-(3-phenylpropyl)phenyl]ethanamine

C17H21N — CID 10657642

IUPAC2-[4-(3-phenylpropyl)phenyl]ethanamine
SMILESNCCc1ccc(CCCc2ccccc2)cc1
InChIInChI=1S/C17H21N/c18-14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13-14,18H2
InChIKeyYMVIIWYVJUTVGJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.36
Rot. Bonds6

About 2-[4-(3-phenylpropyl)phenyl]ethanamine

2-[4-(3-phenylpropyl)phenyl]ethanamine (PubChem CID 10657642) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[4-(3-phenylpropyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-phenylpropyl)phenyl]ethanamine
PubChem CID10657642
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2-[4-(3-phenylpropyl)phenyl]ethanamine
SMILESNCCc1ccc(CCCc2ccccc2)cc1
InChIInChI=1S/C17H21N/c18-14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13-14,18H2
InChIKeyYMVIIWYVJUTVGJ-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylpropyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(3-phenylpropyl)phenyl]ethanamine (CID 10657642) is 2-[4-(3-phenylpropyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(3-phenylpropyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(3-phenylpropyl)phenyl]ethanamine is NCCc1ccc(CCCc2ccccc2)cc1.
What is the InChIKey of 2-[4-(3-phenylpropyl)phenyl]ethanamine?
The InChIKey is YMVIIWYVJUTVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c18-14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13-14,18H2.
What are the key properties of 2-[4-(3-phenylpropyl)phenyl]ethanamine?
2-[4-(3-phenylpropyl)phenyl]ethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenylpropyl)phenyl]ethanamine is sourced from PubChem (CID 10657642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).