3-phenylpropan-1-amine

C9H13N — CID 16259

IUPAC3-phenylpropan-1-amine
SMILESNCCCc1ccccc1
InChIInChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2
InChIKeyLYUQWQRTDLVQGA-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.58
Rot. Bonds3

About 3-phenylpropan-1-amine

3-phenylpropan-1-amine (PubChem CID 16259) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-phenylpropan-1-amine
PubChem CID16259
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3-phenylpropan-1-amine
SMILESNCCCc1ccccc1
InChIInChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2
InChIKeyLYUQWQRTDLVQGA-UHFFFAOYSA-N
XLogP1.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenylpropan-1-amine?
The IUPAC name of 3-phenylpropan-1-amine (CID 16259) is 3-phenylpropan-1-amine.
What is the SMILES notation for 3-phenylpropan-1-amine?
The canonical SMILES for 3-phenylpropan-1-amine is NCCCc1ccccc1.
What is the InChIKey of 3-phenylpropan-1-amine?
The InChIKey is LYUQWQRTDLVQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2.
What are the key properties of 3-phenylpropan-1-amine?
3-phenylpropan-1-amine has a molecular weight of 135.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropan-1-amine is sourced from PubChem (CID 16259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).