1-phenylpropan-2-amine

C9H13N — CID 3007

IUPAC1-phenylpropan-2-amine
SMILESCC(N)Cc1ccccc1
InChIInChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
InChIKeyKWTSXDURSIMDCE-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.58
Rot. Bonds2

About 1-phenylpropan-2-amine

1-phenylpropan-2-amine (PubChem CID 3007) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1-phenylpropan-2-amine.

Molecular Properties

Compound Name1-phenylpropan-2-amine
PubChem CID3007
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1-phenylpropan-2-amine
SMILESCC(N)Cc1ccccc1
InChIInChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
InChIKeyKWTSXDURSIMDCE-UHFFFAOYSA-N
XLogP1.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 1-phenylpropan-2-amine?
The IUPAC name of 1-phenylpropan-2-amine (CID 3007) is 1-phenylpropan-2-amine.
What is the SMILES notation for 1-phenylpropan-2-amine?
The canonical SMILES for 1-phenylpropan-2-amine is CC(N)Cc1ccccc1.
What is the InChIKey of 1-phenylpropan-2-amine?
The InChIKey is KWTSXDURSIMDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3.
What are the key properties of 1-phenylpropan-2-amine?
1-phenylpropan-2-amine has a molecular weight of 135.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropan-2-amine is sourced from PubChem (CID 3007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).