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Midalcipran

C15H22N2O — CID 11622909

💊View drug profile → milnacipran

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1(c2ccccc2)CC1CN
InChIInChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3
InChIKeyGJJFMKBJSRMPLA-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.77
Rot. Bonds5

About Midalcipran

Midalcipran (PubChem CID 11622909) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameMidalcipran
PubChem CID11622909
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1(c2ccccc2)CC1CN
InChIInChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3
InChIKeyGJJFMKBJSRMPLA-UHFFFAOYSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Levomilnacipran
CID 6917779
Isopropamide
CID 3775
N,N-Diethyl-2-phenylacetamide
CID 17076
Levomilnacipran Hydrochloride
CID 6917778
(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide
CID 155618148

Frequently Asked Questions

What is the IUPAC name of Midalcipran?
The IUPAC name of Midalcipran (CID 11622909) is 2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for Midalcipran?
The canonical SMILES for Midalcipran is CCN(CC)C(=O)C1(c2ccccc2)CC1CN.
What is the InChIKey of Midalcipran?
The InChIKey is GJJFMKBJSRMPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3.
What are the key properties of Midalcipran?
Midalcipran has a molecular weight of 246.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Midalcipran is sourced from PubChem (CID 11622909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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