[1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone

C18H19NO — CID 116921365

IUPAC[1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone
SMILESCNCC1(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C18H19NO/c1-19-13-18(11-12-18)17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,19H,11-13H2,1H3
InChIKeyDHQXJFCWBAJSGS-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.54
Rot. Bonds5

About [1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone

[1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone (PubChem CID 116921365) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is [1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone
PubChem CID116921365
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name[1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone
SMILESCNCC1(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C18H19NO/c1-19-13-18(11-12-18)17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,19H,11-13H2,1H3
InChIKeyDHQXJFCWBAJSGS-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone?
The IUPAC name of [1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone (CID 116921365) is [1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone?
The canonical SMILES for [1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone is CNCC1(C(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of [1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone?
The InChIKey is DHQXJFCWBAJSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-19-13-18(11-12-18)17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,19H,11-13H2,1H3.
What are the key properties of [1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone?
[1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone has a molecular weight of 265.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 116921365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).