[2-(2-aminopropyl)phenyl]-phenylmethanone

C16H17NO — CID 130367835

IUPAC[2-(2-aminopropyl)phenyl]-phenylmethanone
SMILESCC(N)Cc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H17NO/c1-12(17)11-14-9-5-6-10-15(14)16(18)13-7-3-2-4-8-13/h2-10,12H,11,17H2,1H3
InChIKeyRWIQDLNWJJMYPU-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.81
Rot. Bonds4

About [2-(2-aminopropyl)phenyl]-phenylmethanone

[2-(2-aminopropyl)phenyl]-phenylmethanone (PubChem CID 130367835) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is [2-(2-aminopropyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2-aminopropyl)phenyl]-phenylmethanone
PubChem CID130367835
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name[2-(2-aminopropyl)phenyl]-phenylmethanone
SMILESCC(N)Cc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H17NO/c1-12(17)11-14-9-5-6-10-15(14)16(18)13-7-3-2-4-8-13/h2-10,12H,11,17H2,1H3
InChIKeyRWIQDLNWJJMYPU-UHFFFAOYSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-2-aminopropyl]benzoic acid
CID 20581914
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
[2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone
CID 174521590
[2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone
CID 23109182
[2-(3-hydroxypropyl)phenyl]-phenylmethanone
CID 66892901
[2-[(2S)-2-aminopropyl]phenyl]methanol
CID 130643067
[2-(2-hydroxydodecyl)phenyl]-phenylmethanone
CID 54510367
2-(2-benzoylphenyl)acetyl chloride
CID 139777615
2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one
CID 175054462
2-methylpropyl 2-benzoylbenzoate
CID 142743650
phenyl-(2-prop-2-enylphenyl)methanone
CID 12026554
phenyl-(2-tridecylphenyl)methanone
CID 159151783

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminopropyl)phenyl]-phenylmethanone?
The IUPAC name of [2-(2-aminopropyl)phenyl]-phenylmethanone (CID 130367835) is [2-(2-aminopropyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(2-aminopropyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(2-aminopropyl)phenyl]-phenylmethanone is CC(N)Cc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(2-aminopropyl)phenyl]-phenylmethanone?
The InChIKey is RWIQDLNWJJMYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12(17)11-14-9-5-6-10-15(14)16(18)13-7-3-2-4-8-13/h2-10,12H,11,17H2,1H3.
What are the key properties of [2-(2-aminopropyl)phenyl]-phenylmethanone?
[2-(2-aminopropyl)phenyl]-phenylmethanone has a molecular weight of 239.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminopropyl)phenyl]-phenylmethanone is sourced from PubChem (CID 130367835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).